2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine

C17H15ClN8 — CID 169164776

IUPAC2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine
SMILESNc1cnc(N2CCc3[nH]cnc3[C@@H]2c2cc3c(Cl)cccn3n2)nc1
InChIInChI=1S/C17H15ClN8/c18-11-2-1-4-26-14(11)6-13(24-26)16-15-12(22-9-23-15)3-5-25(16)17-20-7-10(19)8-21-17/h1-2,4,6-9,16H,3,5,19H2,(H,22,23)/t16-/m0/s1
InChIKeyZLHTWPPLIRRGSJ-INIZCTEOSA-N
MW366.82 g/mol
LogP2.24
Rot. Bonds2

About 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine

2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine (PubChem CID 169164776) has the molecular formula C17H15ClN8 and a molecular weight of 366.82 g/mol. Its IUPAC name is 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine
PubChem CID169164776
Molecular FormulaC17H15ClN8
Molecular Weight366.82 g/mol
Exact Mass366.11
IUPAC Name2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine
SMILESNc1cnc(N2CCc3[nH]cnc3[C@@H]2c2cc3c(Cl)cccn3n2)nc1
InChIInChI=1S/C17H15ClN8/c18-11-2-1-4-26-14(11)6-13(24-26)16-15-12(22-9-23-15)3-5-25(16)17-20-7-10(19)8-21-17/h1-2,4,6-9,16H,3,5,19H2,(H,22,23)/t16-/m0/s1
InChIKeyZLHTWPPLIRRGSJ-INIZCTEOSA-N
XLogP2.24
TPSA101.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine?
The IUPAC name of 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine (CID 169164776) is 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine?
The canonical SMILES for 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine is Nc1cnc(N2CCc3[nH]cnc3[C@@H]2c2cc3c(Cl)cccn3n2)nc1.
What is the InChIKey of 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine?
The InChIKey is ZLHTWPPLIRRGSJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15ClN8/c18-11-2-1-4-26-14(11)6-13(24-26)16-15-12(22-9-23-15)3-5-25(16)17-20-7-10(19)8-21-17/h1-2,4,6-9,16H,3,5,19H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine?
2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine has a molecular weight of 366.82 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine is sourced from PubChem (CID 169164776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).