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

C33H33FN6O2 — CID 156829491

IUPAC2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide
SMILESCc1c(-c2cc3ccc(-c4ccccc4C(N)=O)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H33FN6O2/c1-19-28-11-10-23(33(42)38-17-24(34)14-25(35)18-38)16-40(28)37-31(19)30-13-22-9-8-21(12-29(22)39(30)15-20-6-7-20)26-4-2-3-5-27(26)32(36)41/h2-5,8-13,16,20,24-25H,6-7,14-15,17-18,35H2,1H3,(H2,36,41)/t24-,25-/m1/s1
InChIKeyBNNOREAGIWQLQY-JWQCQUIFSA-N
MW564.67 g/mol
LogP4.95
Rot. Bonds6

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

2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide (PubChem CID 156829491) has the molecular formula C33H33FN6O2 and a molecular weight of 564.67 g/mol. Its IUPAC name is 2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide.

Molecular Properties

Compound Name2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide
PubChem CID156829491
Molecular FormulaC33H33FN6O2
Molecular Weight564.67 g/mol
Exact Mass564.26
IUPAC Name2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide
SMILESCc1c(-c2cc3ccc(-c4ccccc4C(N)=O)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H33FN6O2/c1-19-28-11-10-23(33(42)38-17-24(34)14-25(35)18-38)16-40(28)37-31(19)30-13-22-9-8-21(12-29(22)39(30)15-20-6-7-20)26-4-2-3-5-27(26)32(36)41/h2-5,8-13,16,20,24-25H,6-7,14-15,17-18,35H2,1H3,(H2,36,41)/t24-,25-/m1/s1
InChIKeyBNNOREAGIWQLQY-JWQCQUIFSA-N
XLogP4.95
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.67
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide?
The IUPAC name of 2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide (CID 156829491) is 2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide.
What is the SMILES notation for 2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide?
The canonical SMILES for 2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide is Cc1c(-c2cc3ccc(-c4ccccc4C(N)=O)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of 2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide?
The InChIKey is BNNOREAGIWQLQY-JWQCQUIFSA-N. The full InChI is InChI=1S/C33H33FN6O2/c1-19-28-11-10-23(33(42)38-17-24(34)14-25(35)18-38)16-40(28)37-31(19)30-13-22-9-8-21(12-29(22)39(30)15-20-6-7-20)26-4-2-3-5-27(26)32(36)41/h2-5,8-13,16,20,24-25H,6-7,14-15,17-18,35H2,1H3,(H2,36,41)/t24-,25-/m1/s1.
What are the key properties of 2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide?
2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide has a molecular weight of 564.67 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide is sourced from PubChem (CID 156829491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).