2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

C23H21FN6O2 — CID 118381042

IUPAC2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)Cc3ccc(F)cc3)c2cn1)c1ccccc1
InChIInChI=1S/C23H21FN6O2/c1-14(16-5-3-2-4-6-16)26-23(32)27-20-12-19-18(13-25-20)22(30-29-19)28-21(31)11-15-7-9-17(24)10-8-15/h2-10,12-14H,11H2,1H3,(H2,25,26,27,32)(H2,28,29,30,31)/t14-/m1/s1
InChIKeyNMOSGCFGIKVKEQ-CQSZACIVSA-N
MW432.46 g/mol
LogP4.16
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (PubChem CID 118381042) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
PubChem CID118381042
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)Cc3ccc(F)cc3)c2cn1)c1ccccc1
InChIInChI=1S/C23H21FN6O2/c1-14(16-5-3-2-4-6-16)26-23(32)27-20-12-19-18(13-25-20)22(30-29-19)28-21(31)11-15-7-9-17(24)10-8-15/h2-10,12-14H,11H2,1H3,(H2,25,26,27,32)(H2,28,29,30,31)/t14-/m1/s1
InChIKeyNMOSGCFGIKVKEQ-CQSZACIVSA-N
XLogP4.16
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (CID 118381042) is 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)Cc3ccc(F)cc3)c2cn1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The InChIKey is NMOSGCFGIKVKEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-14(16-5-3-2-4-6-16)26-23(32)27-20-12-19-18(13-25-20)22(30-29-19)28-21(31)11-15-7-9-17(24)10-8-15/h2-10,12-14H,11H2,1H3,(H2,25,26,27,32)(H2,28,29,30,31)/t14-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide has a molecular weight of 432.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 118381042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).