N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C20H17F2N7O — CID 171656162

IUPACN-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnn(C[C@@H]3CC3(F)F)n2)cc1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C20H17F2N7O/c1-12-5-6-13(18-25-27-29(26-18)11-14-9-20(14,21)22)8-16(12)24-19(30)15-10-23-28-7-3-2-4-17(15)28/h2-8,10,14H,9,11H2,1H3,(H,24,30)/t14-/m0/s1
InChIKeyZCFBUYIOYMTOSG-AWEZNQCLSA-N
MW409.40 g/mol
LogP3.20
Rot. Bonds5

About N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171656162) has the molecular formula C20H17F2N7O and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171656162
Molecular FormulaC20H17F2N7O
Molecular Weight409.40 g/mol
Exact Mass409.15
IUPAC NameN-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnn(C[C@@H]3CC3(F)F)n2)cc1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C20H17F2N7O/c1-12-5-6-13(18-25-27-29(26-18)11-14-9-20(14,21)22)8-16(12)24-19(30)15-10-23-28-7-3-2-4-17(15)28/h2-8,10,14H,9,11H2,1H3,(H,24,30)/t14-/m0/s1
InChIKeyZCFBUYIOYMTOSG-AWEZNQCLSA-N
XLogP3.20
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171656162) is N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2nnn(C[C@@H]3CC3(F)F)n2)cc1NC(=O)c1cnn2ccccc12.
What is the InChIKey of N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZCFBUYIOYMTOSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17F2N7O/c1-12-5-6-13(18-25-27-29(26-18)11-14-9-20(14,21)22)8-16(12)24-19(30)15-10-23-28-7-3-2-4-17(15)28/h2-8,10,14H,9,11H2,1H3,(H,24,30)/t14-/m0/s1.
What are the key properties of N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[[(1S)-2,2-difluorocyclopropyl]methyl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171656162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).