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-methylbenzamide

C34H35FN6O2 — CID 156829511

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-methylbenzamide
SMILESCc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c3c2)ccc1C(N)=O
InChIInChI=1S/C34H35FN6O2/c1-19-11-22(7-9-28(19)33(37)42)23-5-6-24-13-31(40(30(24)12-23)15-21-3-4-21)32-20(2)29-10-8-25(16-41(29)38-32)34(43)39-17-26(35)14-27(36)18-39/h5-13,16,21,26-27H,3-4,14-15,17-18,36H2,1-2H3,(H2,37,42)/t26-,27-/m1/s1
InChIKeyJMZAYKQGMWBAEJ-KAYWLYCHSA-N
MW578.69 g/mol
LogP5.26
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-methylbenzamide

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-methylbenzamide (PubChem CID 156829511) has the molecular formula C34H35FN6O2 and a molecular weight of 578.69 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-methylbenzamide.

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-methylbenzamide
PubChem CID156829511
Molecular FormulaC34H35FN6O2
Molecular Weight578.69 g/mol
Exact Mass578.28
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-methylbenzamide
SMILESCc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c3c2)ccc1C(N)=O
InChIInChI=1S/C34H35FN6O2/c1-19-11-22(7-9-28(19)33(37)42)23-5-6-24-13-31(40(30(24)12-23)15-21-3-4-21)32-20(2)29-10-8-25(16-41(29)38-32)34(43)39-17-26(35)14-27(36)18-39/h5-13,16,21,26-27H,3-4,14-15,17-18,36H2,1-2H3,(H2,37,42)/t26-,27-/m1/s1
InChIKeyJMZAYKQGMWBAEJ-KAYWLYCHSA-N
XLogP5.26
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.69
LogP ≤ 55.26
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-methylbenzamide 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-methylbenzamide?
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-methylbenzamide (CID 156829511) 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-methylbenzamide.
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-methylbenzamide?
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-methylbenzamide is Cc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c3c2)ccc1C(N)=O.
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-methylbenzamide?
The InChIKey is JMZAYKQGMWBAEJ-KAYWLYCHSA-N. The full InChI is InChI=1S/C34H35FN6O2/c1-19-11-22(7-9-28(19)33(37)42)23-5-6-24-13-31(40(30(24)12-23)15-21-3-4-21)32-20(2)29-10-8-25(16-41(29)38-32)34(43)39-17-26(35)14-27(36)18-39/h5-13,16,21,26-27H,3-4,14-15,17-18,36H2,1-2H3,(H2,37,42)/t26-,27-/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-methylbenzamide?
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-methylbenzamide has a molecular weight of 578.69 g/mol, XLogP of 5.26, 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-methylbenzamide is sourced from PubChem (CID 156829511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).