(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C18H16ClN7O — CID 170193642

IUPAC(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2cc3ccccn3n2)c(Cl)n1
InChIInChI=1S/C18H16ClN7O/c1-24-9-12(17(19)23-24)18(27)25-7-5-13-15(21-10-20-13)16(25)14-8-11-4-2-3-6-26(11)22-14/h2-4,6,8-10,16H,5,7H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyXZFXKIMANCXJMH-INIZCTEOSA-N
MW381.83 g/mol
LogP2.23
Rot. Bonds2

About (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170193642) has the molecular formula C18H16ClN7O and a molecular weight of 381.83 g/mol. Its IUPAC name is (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170193642
Molecular FormulaC18H16ClN7O
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC Name(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2cc3ccccn3n2)c(Cl)n1
InChIInChI=1S/C18H16ClN7O/c1-24-9-12(17(19)23-24)18(27)25-7-5-13-15(21-10-20-13)16(25)14-8-11-4-2-3-6-26(11)22-14/h2-4,6,8-10,16H,5,7H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyXZFXKIMANCXJMH-INIZCTEOSA-N
XLogP2.23
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

(2-ethylpyrazol-3-yl)-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170384831
(3-amino-1-methylpyrazol-5-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333809
[4-chloro-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166335
[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 169165475
[6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170332977
(2-propan-2-ylpyrazol-3-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333490
[5-(1-fluoroethyl)-1H-pyrazol-4-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170393545
[5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165325
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 170332717
[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazol-3-yl]methanone
CID 169164964
(6-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333991
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170332771

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170193642) is (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cn1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2cc3ccccn3n2)c(Cl)n1.
What is the InChIKey of (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is XZFXKIMANCXJMH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16ClN7O/c1-24-9-12(17(19)23-24)18(27)25-7-5-13-15(21-10-20-13)16(25)14-8-11-4-2-3-6-26(11)22-14/h2-4,6,8-10,16H,5,7H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 381.83 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170193642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).