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

C19H14ClF2N7O — CID 171655721

IUPACN-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nnn(CC3CC3(F)F)n2)ccc1Cl)c1cnn2ccccc12
InChIInChI=1S/C19H14ClF2N7O/c20-14-5-4-11(17-25-27-29(26-17)10-12-8-19(12,21)22)7-15(14)24-18(30)13-9-23-28-6-2-1-3-16(13)28/h1-7,9,12H,8,10H2,(H,24,30)
InChIKeySDHNMHVJSDOZFX-UHFFFAOYSA-N
MW429.82 g/mol
LogP3.55
Rot. Bonds5

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

N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171655721) has the molecular formula C19H14ClF2N7O and a molecular weight of 429.82 g/mol. Its IUPAC name is N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171655721
Molecular FormulaC19H14ClF2N7O
Molecular Weight429.82 g/mol
Exact Mass429.09
IUPAC NameN-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nnn(CC3CC3(F)F)n2)ccc1Cl)c1cnn2ccccc12
InChIInChI=1S/C19H14ClF2N7O/c20-14-5-4-11(17-25-27-29(26-17)10-12-8-19(12,21)22)7-15(14)24-18(30)13-9-23-28-6-2-1-3-16(13)28/h1-7,9,12H,8,10H2,(H,24,30)
InChIKeySDHNMHVJSDOZFX-UHFFFAOYSA-N
XLogP3.55
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171655721) is N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1cc(-c2nnn(CC3CC3(F)F)n2)ccc1Cl)c1cnn2ccccc12.
What is the InChIKey of N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SDHNMHVJSDOZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N7O/c20-14-5-4-11(17-25-27-29(26-17)10-12-8-19(12,21)22)7-15(14)24-18(30)13-9-23-28-6-2-1-3-16(13)28/h1-7,9,12H,8,10H2,(H,24,30).
What are the key properties of N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 429.82 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171655721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).