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

C25H23ClFN9O3 — CID 171655606

IUPACN-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(2R)-2,3-dihydroxy-2-methylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@](O)(CO)Cn1cc(-c2ccn3ncc(C(=O)Nc4cc(-n5nnc([C@@H]6C[C@H]6F)n5)ccc4Cl)c3c2)cn1
InChIInChI=1S/C25H23ClFN9O3/c1-25(39,13-37)12-34-11-15(9-28-34)14-4-5-35-22(6-14)18(10-29-35)24(38)30-21-7-16(2-3-19(21)26)36-32-23(31-33-36)17-8-20(17)27/h2-7,9-11,17,20,37,39H,8,12-13H2,1H3,(H,30,38)/t17-,20-,25-/m1/s1
InChIKeyJARBVIXNHBVODT-FLPMJASOSA-N
MW551.97 g/mol
LogP2.65
Rot. Bonds8

About N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(2R)-2,3-dihydroxy-2-methylpropyl]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-[(2R)-2,3-dihydroxy-2-methylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171655606) has the molecular formula C25H23ClFN9O3 and a molecular weight of 551.97 g/mol. Its IUPAC name is N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(2R)-2,3-dihydroxy-2-methylpropyl]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-[(2R)-2,3-dihydroxy-2-methylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171655606
Molecular FormulaC25H23ClFN9O3
Molecular Weight551.97 g/mol
Exact Mass551.16
IUPAC NameN-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(2R)-2,3-dihydroxy-2-methylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@](O)(CO)Cn1cc(-c2ccn3ncc(C(=O)Nc4cc(-n5nnc([C@@H]6C[C@H]6F)n5)ccc4Cl)c3c2)cn1
InChIInChI=1S/C25H23ClFN9O3/c1-25(39,13-37)12-34-11-15(9-28-34)14-4-5-35-22(6-14)18(10-29-35)24(38)30-21-7-16(2-3-19(21)26)36-32-23(31-33-36)17-8-20(17)27/h2-7,9-11,17,20,37,39H,8,12-13H2,1H3,(H,30,38)/t17-,20-,25-/m1/s1
InChIKeyJARBVIXNHBVODT-FLPMJASOSA-N
XLogP2.65
TPSA148.28 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.97
LogP ≤ 52.65
H-Bond Donors ≤ 53
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-[(2R)-2,3-dihydroxy-2-methylpropyl]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-[(2R)-2,3-dihydroxy-2-methylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171655606) is N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(2R)-2,3-dihydroxy-2-methylpropyl]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-[(2R)-2,3-dihydroxy-2-methylpropyl]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-[(2R)-2,3-dihydroxy-2-methylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is C[C@](O)(CO)Cn1cc(-c2ccn3ncc(C(=O)Nc4cc(-n5nnc([C@@H]6C[C@H]6F)n5)ccc4Cl)c3c2)cn1.
What is the InChIKey of N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(2R)-2,3-dihydroxy-2-methylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JARBVIXNHBVODT-FLPMJASOSA-N. The full InChI is InChI=1S/C25H23ClFN9O3/c1-25(39,13-37)12-34-11-15(9-28-34)14-4-5-35-22(6-14)18(10-29-35)24(38)30-21-7-16(2-3-19(21)26)36-32-23(31-33-36)17-8-20(17)27/h2-7,9-11,17,20,37,39H,8,12-13H2,1H3,(H,30,38)/t17-,20-,25-/m1/s1.
What are the key properties of N-[2-chloro-5-[5-[(1S,2R)-2-fluorocyclopropyl]tetrazol-2-yl]phenyl]-5-[1-[(2R)-2,3-dihydroxy-2-methylpropyl]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-[(2R)-2,3-dihydroxy-2-methylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 551.97 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 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-[(2R)-2,3-dihydroxy-2-methylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171655606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).