1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C15H20ClN5 — CID 108773653

IUPAC1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCc1nc(Cl)cc(N2CCc3c(cnn3C(C)(C)C)C2)n1
InChIInChI=1S/C15H20ClN5/c1-10-18-13(16)7-14(19-10)20-6-5-12-11(9-20)8-17-21(12)15(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyAGBOZMUSNUEPMS-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.95
Rot. Bonds1

About 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 108773653) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID108773653
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCc1nc(Cl)cc(N2CCc3c(cnn3C(C)(C)C)C2)n1
InChIInChI=1S/C15H20ClN5/c1-10-18-13(16)7-14(19-10)20-6-5-12-11(9-20)8-17-21(12)15(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyAGBOZMUSNUEPMS-UHFFFAOYSA-N
XLogP2.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 108773670
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 62483560
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2,2,2-trichloroethanone
CID 108732144
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2,4-dichlorophenyl)methanone
CID 108732172
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108755726
4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 1484265
N-tert-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873827
4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
CID 66063784
3-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 108732236
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2-chloro-5-nitrophenyl)methanone
CID 108732160

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 108773653) is 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is Cc1nc(Cl)cc(N2CCc3c(cnn3C(C)(C)C)C2)n1.
What is the InChIKey of 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is AGBOZMUSNUEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-10-18-13(16)7-14(19-10)20-6-5-12-11(9-20)8-17-21(12)15(2,3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 305.81 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(6-chloro-2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 108773653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).