6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one

C36H36FN5O3 — CID 178185586

IUPAC6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one
SMILESCOc1cc(C(=O)N2C[C@H](C)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc6c(c5)C(=O)NC6)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C36H36FN5O3/c1-20-10-28(37)19-40(16-20)36(44)27-14-32(45-3)34-21(2)33(39-42(34)18-27)31-13-25-8-6-24(12-30(25)41(31)17-22-4-5-22)23-7-9-26-15-38-35(43)29(26)11-23/h6-9,11-14,18,20,22,28H,4-5,10,15-17,19H2,1-3H3,(H,38,43)/t20-,28-/m1/s1
InChIKeyBRRKJRBDYXQWFB-PIIWDFAUSA-N
MW605.71 g/mol
LogP6.41
Rot. Bonds6

About 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one

6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one (PubChem CID 178185586) has the molecular formula C36H36FN5O3 and a molecular weight of 605.71 g/mol. Its IUPAC name is 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one
PubChem CID178185586
Molecular FormulaC36H36FN5O3
Molecular Weight605.71 g/mol
Exact Mass605.28
IUPAC Name6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one
SMILESCOc1cc(C(=O)N2C[C@H](C)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc6c(c5)C(=O)NC6)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C36H36FN5O3/c1-20-10-28(37)19-40(16-20)36(44)27-14-32(45-3)34-21(2)33(39-42(34)18-27)31-13-25-8-6-24(12-30(25)41(31)17-22-4-5-22)23-7-9-26-15-38-35(43)29(26)11-23/h6-9,11-14,18,20,22,28H,4-5,10,15-17,19H2,1-3H3,(H,38,43)/t20-,28-/m1/s1
InChIKeyBRRKJRBDYXQWFB-PIIWDFAUSA-N
XLogP6.41
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.71
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one (CID 178185586) is 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one is COc1cc(C(=O)N2C[C@H](C)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc6c(c5)C(=O)NC6)cc4n3CC3CC3)c(C)c12.
What is the InChIKey of 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is BRRKJRBDYXQWFB-PIIWDFAUSA-N. The full InChI is InChI=1S/C36H36FN5O3/c1-20-10-28(37)19-40(16-20)36(44)27-14-32(45-3)34-21(2)33(39-42(34)18-27)31-13-25-8-6-24(12-30(25)41(31)17-22-4-5-22)23-7-9-26-15-38-35(43)29(26)11-23/h6-9,11-14,18,20,22,28H,4-5,10,15-17,19H2,1-3H3,(H,38,43)/t20-,28-/m1/s1.
What are the key properties of 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one?
6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 605.71 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclopropylmethyl)-2-[6-[(3R,5R)-3-fluoro-5-methylpiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]indol-6-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 178185586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).