2-[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]benzamide

C34H35FN6O3 — CID 156829147

IUPAC2-[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]benzamide
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccccc5C(N)=O)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C34H35FN6O3/c1-19-31(38-41-16-23(13-30(44-2)32(19)41)34(43)39-17-24(35)14-25(36)18-39)29-12-22-10-9-21(11-28(22)40(29)15-20-7-8-20)26-5-3-4-6-27(26)33(37)42/h3-6,9-13,16,20,24-25H,7-8,14-15,17-18,36H2,1-2H3,(H2,37,42)/t24-,25-/m1/s1
InChIKeyDTUIFPQRSXCTLF-JWQCQUIFSA-N
MW594.69 g/mol
LogP4.96
Rot. Bonds7

About 2-[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]benzamide

2-[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]benzamide (PubChem CID 156829147) has the molecular formula C34H35FN6O3 and a molecular weight of 594.69 g/mol. Its IUPAC name is 2-[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]benzamide.

Molecular Properties

Compound Name2-[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]benzamide
PubChem CID156829147
Molecular FormulaC34H35FN6O3
Molecular Weight594.69 g/mol
Exact Mass594.28
IUPAC Name2-[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]benzamide
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccccc5C(N)=O)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C34H35FN6O3/c1-19-31(38-41-16-23(13-30(44-2)32(19)41)34(43)39-17-24(35)14-25(36)18-39)29-12-22-10-9-21(11-28(22)40(29)15-20-7-8-20)26-5-3-4-6-27(26)33(37)42/h3-6,9-13,16,20,24-25H,7-8,14-15,17-18,36H2,1-2H3,(H2,37,42)/t24-,25-/m1/s1
InChIKeyDTUIFPQRSXCTLF-JWQCQUIFSA-N
XLogP4.96
TPSA120.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.69
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[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]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]-4-methoxy-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]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]benzamide (CID 156829147) is 2-[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]benzamide.
What is the SMILES notation for 2-[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]benzamide?
The canonical SMILES for 2-[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]benzamide is COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccccc5C(N)=O)cc4n3CC3CC3)c(C)c12.
What is the InChIKey of 2-[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]benzamide?
The InChIKey is DTUIFPQRSXCTLF-JWQCQUIFSA-N. The full InChI is InChI=1S/C34H35FN6O3/c1-19-31(38-41-16-23(13-30(44-2)32(19)41)34(43)39-17-24(35)14-25(36)18-39)29-12-22-10-9-21(11-28(22)40(29)15-20-7-8-20)26-5-3-4-6-27(26)33(37)42/h3-6,9-13,16,20,24-25H,7-8,14-15,17-18,36H2,1-2H3,(H2,37,42)/t24-,25-/m1/s1.
What are the key properties of 2-[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]benzamide?
2-[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]benzamide has a molecular weight of 594.69 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[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]benzamide is sourced from PubChem (CID 156829147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).