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

C33H32F2N6O2 — CID 156828904

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide
SMILESCc1c(-c2cc3ccc(-c4ccc(C(N)=O)c(F)c4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H32F2N6O2/c1-18-28-9-7-23(33(43)39-16-24(34)13-25(36)17-39)15-41(28)38-31(18)30-12-22-5-4-21(11-29(22)40(30)14-19-2-3-19)20-6-8-26(32(37)42)27(35)10-20/h4-12,15,19,24-25H,2-3,13-14,16-17,36H2,1H3,(H2,37,42)/t24-,25-/m1/s1
InChIKeyRYVHQTFSLWDVJB-JWQCQUIFSA-N
MW582.66 g/mol
LogP5.09
Rot. Bonds6

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

4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide (PubChem CID 156828904) has the molecular formula C33H32F2N6O2 and a molecular weight of 582.66 g/mol. Its IUPAC name is 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide
PubChem CID156828904
Molecular FormulaC33H32F2N6O2
Molecular Weight582.66 g/mol
Exact Mass582.26
IUPAC Name4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide
SMILESCc1c(-c2cc3ccc(-c4ccc(C(N)=O)c(F)c4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H32F2N6O2/c1-18-28-9-7-23(33(43)39-16-24(34)13-25(36)17-39)15-41(28)38-31(18)30-12-22-5-4-21(11-29(22)40(30)14-19-2-3-19)20-6-8-26(32(37)42)27(35)10-20/h4-12,15,19,24-25H,2-3,13-14,16-17,36H2,1H3,(H2,37,42)/t24-,25-/m1/s1
InChIKeyRYVHQTFSLWDVJB-JWQCQUIFSA-N
XLogP5.09
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.66
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide?
The IUPAC name of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide (CID 156828904) is 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide?
The canonical SMILES for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide is Cc1c(-c2cc3ccc(-c4ccc(C(N)=O)c(F)c4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide?
The InChIKey is RYVHQTFSLWDVJB-JWQCQUIFSA-N. The full InChI is InChI=1S/C33H32F2N6O2/c1-18-28-9-7-23(33(43)39-16-24(34)13-25(36)17-39)15-41(28)38-31(18)30-12-22-5-4-21(11-29(22)40(30)14-19-2-3-19)20-6-8-26(32(37)42)27(35)10-20/h4-12,15,19,24-25H,2-3,13-14,16-17,36H2,1H3,(H2,37,42)/t24-,25-/m1/s1.
What are the key properties of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide?
4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide has a molecular weight of 582.66 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide is sourced from PubChem (CID 156828904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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