[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C32H37FN8O3 — CID 156829390

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-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(-c3cc4ccnc(OCCn5ccnc5C)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C32H37FN8O3/c1-19-28(37-41-16-23(13-27(43-3)29(19)41)32(42)39-17-24(33)14-25(34)18-39)26-12-22-6-7-36-31(30(22)40(26)15-21-4-5-21)44-11-10-38-9-8-35-20(38)2/h6-9,12-13,16,21,24-25H,4-5,10-11,14-15,17-18,34H2,1-3H3/t24-,25-/m1/s1
InChIKeyMTKIMZIBIRCFSI-JWQCQUIFSA-N
MW600.70 g/mol
LogP4.17
Rot. Bonds9

About [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829390) has the molecular formula C32H37FN8O3 and a molecular weight of 600.70 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-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)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829390
Molecular FormulaC32H37FN8O3
Molecular Weight600.70 g/mol
Exact Mass600.30
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-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(-c3cc4ccnc(OCCn5ccnc5C)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C32H37FN8O3/c1-19-28(37-41-16-23(13-27(43-3)29(19)41)32(42)39-17-24(33)14-25(34)18-39)26-12-22-6-7-36-31(30(22)40(26)15-21-4-5-21)44-11-10-38-9-8-35-20(38)2/h6-9,12-13,16,21,24-25H,4-5,10-11,14-15,17-18,34H2,1-3H3/t24-,25-/m1/s1
InChIKeyMTKIMZIBIRCFSI-JWQCQUIFSA-N
XLogP4.17
TPSA117.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.70
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-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)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829390) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-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)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-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)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-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(-c3cc4ccnc(OCCn5ccnc5C)c4n3CC3CC3)c(C)c12.
What is the InChIKey of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is MTKIMZIBIRCFSI-JWQCQUIFSA-N. The full InChI is InChI=1S/C32H37FN8O3/c1-19-28(37-41-16-23(13-27(43-3)29(19)41)32(42)39-17-24(33)14-25(34)18-39)26-12-22-6-7-36-31(30(22)40(26)15-21-4-5-21)44-11-10-38-9-8-35-20(38)2/h6-9,12-13,16,21,24-25H,4-5,10-11,14-15,17-18,34H2,1-3H3/t24-,25-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 600.70 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).