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

C19H15ClF2N8O — CID 171656513

IUPAC5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cc(-c4nnn(CC5CC5(F)F)n4)ccc3Cl)c2c1
InChIInChI=1S/C19H15ClF2N8O/c20-14-2-1-10(17-26-28-30(27-17)9-11-7-19(11,21)22)5-15(14)25-18(31)13-8-24-29-4-3-12(23)6-16(13)29/h1-6,8,11H,7,9,23H2,(H,25,31)
InChIKeyQGJJSYFMHUGFTN-UHFFFAOYSA-N
MW444.83 g/mol
LogP3.13
Rot. Bonds5

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

5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171656513) has the molecular formula C19H15ClF2N8O and a molecular weight of 444.83 g/mol. Its IUPAC name is 5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171656513
Molecular FormulaC19H15ClF2N8O
Molecular Weight444.83 g/mol
Exact Mass444.10
IUPAC Name5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cc(-c4nnn(CC5CC5(F)F)n4)ccc3Cl)c2c1
InChIInChI=1S/C19H15ClF2N8O/c20-14-2-1-10(17-26-28-30(27-17)9-11-7-19(11,21)22)5-15(14)25-18(31)13-8-24-29-4-3-12(23)6-16(13)29/h1-6,8,11H,7,9,23H2,(H,25,31)
InChIKeyQGJJSYFMHUGFTN-UHFFFAOYSA-N
XLogP3.13
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171656513) is 5-amino-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 5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Nc1ccn2ncc(C(=O)Nc3cc(-c4nnn(CC5CC5(F)F)n4)ccc3Cl)c2c1.
What is the InChIKey of 5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QGJJSYFMHUGFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N8O/c20-14-2-1-10(17-26-28-30(27-17)9-11-7-19(11,21)22)5-15(14)25-18(31)13-8-24-29-4-3-12(23)6-16(13)29/h1-6,8,11H,7,9,23H2,(H,25,31).
What are the key properties of 5-amino-N-[2-chloro-5-[2-[(2,2-difluorocyclopropyl)methyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-amino-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 444.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-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 171656513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).