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

C35H37FN6O3 — CID 156829481

IUPACN-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc(NC(C)=O)cc5)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C35H37FN6O3/c1-20-33(39-42-17-26(14-32(45-3)34(20)42)35(44)40-18-27(36)15-28(37)19-40)31-13-25-7-6-24(12-30(25)41(31)16-22-4-5-22)23-8-10-29(11-9-23)38-21(2)43/h6-14,17,22,27-28H,4-5,15-16,18-19,37H2,1-3H3,(H,38,43)/t27-,28-/m1/s1
InChIKeyOUONHKWJNSCISW-VSGBNLITSA-N
MW608.72 g/mol
LogP5.82
Rot. Bonds7

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

N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide (PubChem CID 156829481) has the molecular formula C35H37FN6O3 and a molecular weight of 608.72 g/mol. Its IUPAC name is N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide
PubChem CID156829481
Molecular FormulaC35H37FN6O3
Molecular Weight608.72 g/mol
Exact Mass608.29
IUPAC NameN-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc(NC(C)=O)cc5)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C35H37FN6O3/c1-20-33(39-42-17-26(14-32(45-3)34(20)42)35(44)40-18-27(36)15-28(37)19-40)31-13-25-7-6-24(12-30(25)41(31)16-22-4-5-22)23-8-10-29(11-9-23)38-21(2)43/h6-14,17,22,27-28H,4-5,15-16,18-19,37H2,1-3H3,(H,38,43)/t27-,28-/m1/s1
InChIKeyOUONHKWJNSCISW-VSGBNLITSA-N
XLogP5.82
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.72
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide (CID 156829481) is N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide is COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc(NC(C)=O)cc5)cc4n3CC3CC3)c(C)c12.
What is the InChIKey of N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide?
The InChIKey is OUONHKWJNSCISW-VSGBNLITSA-N. The full InChI is InChI=1S/C35H37FN6O3/c1-20-33(39-42-17-26(14-32(45-3)34(20)42)35(44)40-18-27(36)15-28(37)19-40)31-13-25-7-6-24(12-30(25)41(31)16-22-4-5-22)23-8-10-29(11-9-23)38-21(2)43/h6-14,17,22,27-28H,4-5,15-16,18-19,37H2,1-3H3,(H,38,43)/t27-,28-/m1/s1.
What are the key properties of N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide?
N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide has a molecular weight of 608.72 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]acetamide is sourced from PubChem (CID 156829481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).