[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C34H34FN7O2 — CID 156829574

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5cccc6[nH]ncc56)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C34H34FN7O2/c1-19-32(39-42-16-23(12-31(44-2)33(19)42)34(43)40-17-24(35)13-25(36)18-40)30-11-22-9-8-21(10-29(22)41(30)15-20-6-7-20)26-4-3-5-28-27(26)14-37-38-28/h3-5,8-12,14,16,20,24-25H,6-7,13,15,17-18,36H2,1-2H3,(H,37,38)/t24-,25-/m1/s1
InChIKeyWOIUZKMNMHGNIX-JWQCQUIFSA-N
MW591.69 g/mol
LogP5.74
Rot. Bonds6

About [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829574) has the molecular formula C34H34FN7O2 and a molecular weight of 591.69 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829574
Molecular FormulaC34H34FN7O2
Molecular Weight591.69 g/mol
Exact Mass591.28
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5cccc6[nH]ncc56)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C34H34FN7O2/c1-19-32(39-42-16-23(12-31(44-2)33(19)42)34(43)40-17-24(35)13-25(36)18-40)30-11-22-9-8-21(10-29(22)41(30)15-20-6-7-20)26-4-3-5-28-27(26)14-37-38-28/h3-5,8-12,14,16,20,24-25H,6-7,13,15,17-18,36H2,1-2H3,(H,37,38)/t24-,25-/m1/s1
InChIKeyWOIUZKMNMHGNIX-JWQCQUIFSA-N
XLogP5.74
TPSA106.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.69
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280161
N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide
CID 57402102
(4-fluorophenyl) 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxylate
CID 134248986
7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S)-2-phenyl-1-(1H-pyrazol-5-yl)ethyl]indole-3-carboxamide
CID 44316992
N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077936
US12358907, Example 84
CID 154598069
US12473304, Example 36
CID 156828739
US12473304, Example 583
CID 156828744
US12473304, Example 32
CID 156828797
US12473304, Example 614
CID 156828815
US12473304, Example 388
CID 156828835
US12473304, Example 566
CID 156828843

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829574) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5cccc6[nH]ncc56)cc4n3CC3CC3)c(C)c12.
What is the InChIKey of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is WOIUZKMNMHGNIX-JWQCQUIFSA-N. The full InChI is InChI=1S/C34H34FN7O2/c1-19-32(39-42-16-23(12-31(44-2)33(19)42)34(43)40-17-24(35)13-25(36)18-40)30-11-22-9-8-21(10-29(22)41(30)15-20-6-7-20)26-4-3-5-28-27(26)14-37-38-28/h3-5,8-12,14,16,20,24-25H,6-7,13,15,17-18,36H2,1-2H3,(H,37,38)/t24-,25-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 591.69 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-4-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).