(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone — IUPAC name, SMILES, InChIKey & properties

Name: (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 162003175) has the molecular formula C77H93FN20O5S and a molecular weight of 1429.79 g/mol. Its IUPAC name is (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name	(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID	162003175
Molecular Formula	C77H93FN20O5S
Molecular Weight	1429.79 g/mol
Exact Mass	1428.73
IUPAC Name	(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILES	Cc1ccn2c(F)c(C(=O)N3CCCC[C@H]3c3cc4nc(N5CC[C@H](C)C5)c(C)cn4n3)nc2c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4cccs4)[nH]n3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(C4(O)CCCC4)on3)cc2nc1N1CC[C@H](C)C1
InChI	InChI=1S/C26H30FN7O.C26H34N6O3.C25H29N7OS/c1-16-8-11-33-21(12-16)28-23(24(33)27)26(35)32-9-5-4-6-20(32)19-13-22-29-25(18(3)15-34(22)30-19)31-10-7-17(2)14-31;1-17-8-12-30(15-17)24-18(2)16-32-23(27-24)14-19(28-32)21-7-3-6-11-31(21)25(33)20-13-22(35-29-20)26(34)9-4-5-10-26;1-16-8-10-30(14-16)24-17(2)15-32-23(26-24)13-18(29-32)21-6-3-4-9-31(21)25(33)20-12-19(27-28-20)22-7-5-11-34-22/h8,11-13,15,17,20H,4-7,9-10,14H2,1-3H3;13-14,16-17,21,34H,3-12,15H2,1-2H3;5,7,11-13,15-16,21H,3-4,6,8-10,14H2,1-2H3,(H,27,28)/t17-,20-;17-,21-;16-,21-/m000/s1
InChIKey	YSMHVYGBTGCCFR-AZZJNESTSA-N
XLogP	13.05
TPSA	253.46 Å²
H-Bond Donors	2
H-Bond Acceptors	22
Rotatable Bonds	11
Heavy Atoms	104
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1429.79
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Analyze (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?

The IUPAC name of (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 162003175) is (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

What is the SMILES notation for (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?

The canonical SMILES for (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is Cc1ccn2c(F)c(C(=O)N3CCCC[C@H]3c3cc4nc(N5CC[C@H](C)C5)c(C)cn4n3)nc2c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4cccs4)[nH]n3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(C4(O)CCCC4)on3)cc2nc1N1CC[C@H](C)C1.

What is the InChIKey of (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?

The InChIKey is YSMHVYGBTGCCFR-AZZJNESTSA-N. The full InChI is InChI=1S/C26H30FN7O.C26H34N6O3.C25H29N7OS/c1-16-8-11-33-21(12-16)28-23(24(33)27)26(35)32-9-5-4-6-20(32)19-13-22-29-25(18(3)15-34(22)30-19)31-10-7-17(2)14-31;1-17-8-12-30(15-17)24-18(2)16-32-23(27-24)14-19(28-32)21-7-3-6-11-31(21)25(33)20-13-22(35-29-20)26(34)9-4-5-10-26;1-16-8-10-30(14-16)24-17(2)15-32-23(26-24)13-18(29-32)21-6-3-4-9-31(21)25(33)20-12-19(27-28-20)22-7-5-11-34-22/h8,11-13,15,17,20H,4-7,9-10,14H2,1-3H3;13-14,16-17,21,34H,3-12,15H2,1-2H3;5,7,11-13,15-16,21H,3-4,6,8-10,14H2,1-2H3,(H,27,28)/t17-,20-;17-,21-;16-,21-/m000/s1.

What are the key properties of (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?

Where does this data come from?

All data for (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-(1-hydroxycyclopentyl)-1,2-oxazol-3-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 162003175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).