N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C27H25ClFN9O3 — CID 171655930

IUPACN-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-n2nnc([C@@H]3C[C@H]3F)n2)ccc1Cl)c1cnn2ccc(-c3cnn(CC4(O)CCOCC4)c3)cc12
InChIInChI=1S/C27H25ClFN9O3/c28-21-2-1-18(38-34-25(33-35-38)19-11-22(19)29)10-23(21)32-26(39)20-13-31-37-6-3-16(9-24(20)37)17-12-30-36(14-17)15-27(40)4-7-41-8-5-27/h1-3,6,9-10,12-14,19,22,40H,4-5,7-8,11,15H2,(H,32,39)/t19-,22-/m1/s1
InChIKeyPRPKZLISNYQYMK-DENIHFKCSA-N
MW578.01 g/mol
LogP3.45
Rot. Bonds7

About N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171655930) has the molecular formula C27H25ClFN9O3 and a molecular weight of 578.01 g/mol. Its IUPAC name is N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171655930
Molecular FormulaC27H25ClFN9O3
Molecular Weight578.01 g/mol
Exact Mass577.18
IUPAC NameN-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-n2nnc([C@@H]3C[C@H]3F)n2)ccc1Cl)c1cnn2ccc(-c3cnn(CC4(O)CCOCC4)c3)cc12
InChIInChI=1S/C27H25ClFN9O3/c28-21-2-1-18(38-34-25(33-35-38)19-11-22(19)29)10-23(21)32-26(39)20-13-31-37-6-3-16(9-24(20)37)17-12-30-36(14-17)15-27(40)4-7-41-8-5-27/h1-3,6,9-10,12-14,19,22,40H,4-5,7-8,11,15H2,(H,32,39)/t19-,22-/m1/s1
InChIKeyPRPKZLISNYQYMK-DENIHFKCSA-N
XLogP3.45
TPSA137.28 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms41
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.01
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171655930) is N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1cc(-n2nnc([C@@H]3C[C@H]3F)n2)ccc1Cl)c1cnn2ccc(-c3cnn(CC4(O)CCOCC4)c3)cc12.
What is the InChIKey of N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is PRPKZLISNYQYMK-DENIHFKCSA-N. The full InChI is InChI=1S/C27H25ClFN9O3/c28-21-2-1-18(38-34-25(33-35-38)19-11-22(19)29)10-23(21)32-26(39)20-13-31-37-6-3-16(9-24(20)37)17-12-30-36(14-17)15-27(40)4-7-41-8-5-27/h1-3,6,9-10,12-14,19,22,40H,4-5,7-8,11,15H2,(H,32,39)/t19-,22-/m1/s1.
What are the key properties of N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 578.01 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171655930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).