1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid

C25H24FN5O4 — CID 90020157

IUPAC1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCc1cc2c(C(=O)O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@H]3C[C@]3(F)c3ccccc3)c2cn1
InChIInChI=1S/C25H24FN5O4/c1-13-7-16-19(11-27-13)30(29-22(16)24(34)35)12-21(32)31-17-8-14(17)9-18(31)23(33)28-20-10-25(20,26)15-5-3-2-4-6-15/h2-7,11,14,17-18,20H,8-10,12H2,1H3,(H,28,33)(H,34,35)/t14-,17-,18+,20+,25+/m1/s1
InChIKeyMPTMTYZVWJGXHD-NFGFWRJKSA-N
MW477.50 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid

1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 90020157) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID90020157
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCc1cc2c(C(=O)O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@H]3C[C@]3(F)c3ccccc3)c2cn1
InChIInChI=1S/C25H24FN5O4/c1-13-7-16-19(11-27-13)30(29-22(16)24(34)35)12-21(32)31-17-8-14(17)9-18(31)23(33)28-20-10-25(20,26)15-5-3-2-4-6-15/h2-7,11,14,17-18,20H,8-10,12H2,1H3,(H,28,33)(H,34,35)/t14-,17-,18+,20+,25+/m1/s1
InChIKeyMPTMTYZVWJGXHD-NFGFWRJKSA-N
XLogP2.18
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 90020157) is 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid is Cc1cc2c(C(=O)O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@H]3C[C@]3(F)c3ccccc3)c2cn1.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is MPTMTYZVWJGXHD-NFGFWRJKSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-13-7-16-19(11-27-13)30(29-22(16)24(34)35)12-21(32)31-17-8-14(17)9-18(31)23(33)28-20-10-25(20,26)15-5-3-2-4-6-15/h2-7,11,14,17-18,20H,8-10,12H2,1H3,(H,28,33)(H,34,35)/t14-,17-,18+,20+,25+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 477.50 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 90020157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).