1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one

C21H19Cl2N7O2 — CID 160701266

IUPAC1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one
SMILESCOCC1(c2c(CC(=O)Cc3cnc(-n4nccn4)c(Cl)c3)cnc3cc(Cl)nn23)CC1
InChIInChI=1S/C21H19Cl2N7O2/c1-32-12-21(2-3-21)19-14(11-24-18-9-17(23)28-29(18)19)8-15(31)6-13-7-16(22)20(25-10-13)30-26-4-5-27-30/h4-5,7,9-11H,2-3,6,8,12H2,1H3
InChIKeyRQQMHNPLGGXRLH-UHFFFAOYSA-N
MW472.34 g/mol
LogP3.04
Rot. Bonds8

About 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one

1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one (PubChem CID 160701266) has the molecular formula C21H19Cl2N7O2 and a molecular weight of 472.34 g/mol. Its IUPAC name is 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one
PubChem CID160701266
Molecular FormulaC21H19Cl2N7O2
Molecular Weight472.34 g/mol
Exact Mass471.10
IUPAC Name1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one
SMILESCOCC1(c2c(CC(=O)Cc3cnc(-n4nccn4)c(Cl)c3)cnc3cc(Cl)nn23)CC1
InChIInChI=1S/C21H19Cl2N7O2/c1-32-12-21(2-3-21)19-14(11-24-18-9-17(23)28-29(18)19)8-15(31)6-13-7-16(22)20(25-10-13)30-26-4-5-27-30/h4-5,7,9-11H,2-3,6,8,12H2,1H3
InChIKeyRQQMHNPLGGXRLH-UHFFFAOYSA-N
XLogP3.04
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]pyridine-2-carbonitrile
CID 158455877
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 147060237
1-[2-chloro-7-[1-(dimethylamino)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 118540249
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-isocyano-4-(1-methoxyethyl)-3-pyridinyl]propan-2-one
CID 164994358
(12S)-4-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-12-methoxy-13,13-dimethyl-2,3,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-10-carboxamide
CID 156539707
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1R,2R)-2-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 161182011
(5S)-11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600659
(3S)-11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-methoxy-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156563886
11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-4-hydroxy-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600690
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
CID 153073901
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)-5-(oxetan-3-yl)-3-pyridinyl]propan-2-one
CID 165065556
11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]spiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide
CID 171466324

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one (CID 160701266) is 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one is COCC1(c2c(CC(=O)Cc3cnc(-n4nccn4)c(Cl)c3)cnc3cc(Cl)nn23)CC1.
What is the InChIKey of 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one?
The InChIKey is RQQMHNPLGGXRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N7O2/c1-32-12-21(2-3-21)19-14(11-24-18-9-17(23)28-29(18)19)8-15(31)6-13-7-16(22)20(25-10-13)30-26-4-5-27-30/h4-5,7,9-11H,2-3,6,8,12H2,1H3.
What are the key properties of 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one?
1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one has a molecular weight of 472.34 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 160701266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).