(2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one

C35H43FN6O3 — CID 156829285

IUPAC(2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one
SMILESCO[C@H](C)C(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C35H43FN6O3/c1-21-30-10-9-26(35(44)40-19-27(36)16-28(37)20-40)18-42(30)38-32(21)31-15-25-5-4-6-29(33(25)41(31)17-23-7-8-23)24-11-13-39(14-12-24)34(43)22(2)45-3/h4-6,9-10,15,18,22-24,27-28H,7-8,11-14,16-17,19-20,37H2,1-3H3/t22-,27-,28-/m1/s1
InChIKeyVKJALWWCFJIUAH-MWVDVNALSA-N
MW614.77 g/mol
LogP4.93
Rot. Bonds7

About (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one

(2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one (PubChem CID 156829285) has the molecular formula C35H43FN6O3 and a molecular weight of 614.77 g/mol. Its IUPAC name is (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one
PubChem CID156829285
Molecular FormulaC35H43FN6O3
Molecular Weight614.77 g/mol
Exact Mass614.34
IUPAC Name(2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one
SMILESCO[C@H](C)C(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C35H43FN6O3/c1-21-30-10-9-26(35(44)40-19-27(36)16-28(37)20-40)18-42(30)38-32(21)31-15-25-5-4-6-29(33(25)41(31)17-23-7-8-23)24-11-13-39(14-12-24)34(43)22(2)45-3/h4-6,9-10,15,18,22-24,27-28H,7-8,11-14,16-17,19-20,37H2,1-3H3/t22-,27-,28-/m1/s1
InChIKeyVKJALWWCFJIUAH-MWVDVNALSA-N
XLogP4.93
TPSA98.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.77
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one (CID 156829285) is (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one is CO[C@H](C)C(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c23)CC1.
What is the InChIKey of (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one?
The InChIKey is VKJALWWCFJIUAH-MWVDVNALSA-N. The full InChI is InChI=1S/C35H43FN6O3/c1-21-30-10-9-26(35(44)40-19-27(36)16-28(37)20-40)18-42(30)38-32(21)31-15-25-5-4-6-29(33(25)41(31)17-23-7-8-23)24-11-13-39(14-12-24)34(43)22(2)45-3/h4-6,9-10,15,18,22-24,27-28H,7-8,11-14,16-17,19-20,37H2,1-3H3/t22-,27-,28-/m1/s1.
What are the key properties of (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one?
(2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one has a molecular weight of 614.77 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 156829285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).