1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine

C20H27N7 — CID 167916357

IUPAC1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCc3c(nc(C4CC4)n3C)C2)c2cnn(C(C)(C)C)c2n1
InChIInChI=1S/C20H27N7/c1-12-22-18(14-10-21-27(19(14)23-12)20(2,3)4)26-9-8-16-15(11-26)24-17(25(16)5)13-6-7-13/h10,13H,6-9,11H2,1-5H3
InChIKeyRACSCNFPONPBQK-UHFFFAOYSA-N
MW365.49 g/mol
LogP3.06
Rot. Bonds2

About 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine

1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 167916357) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine
PubChem CID167916357
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCc3c(nc(C4CC4)n3C)C2)c2cnn(C(C)(C)C)c2n1
InChIInChI=1S/C20H27N7/c1-12-22-18(14-10-21-27(19(14)23-12)20(2,3)4)26-9-8-16-15(11-26)24-17(25(16)5)13-6-7-13/h10,13H,6-9,11H2,1-5H3
InChIKeyRACSCNFPONPBQK-UHFFFAOYSA-N
XLogP3.06
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine (CID 167916357) is 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine is Cc1nc(N2CCc3c(nc(C4CC4)n3C)C2)c2cnn(C(C)(C)C)c2n1.
What is the InChIKey of 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is RACSCNFPONPBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-12-22-18(14-10-21-27(19(14)23-12)20(2,3)4)26-9-8-16-15(11-26)24-17(25(16)5)13-6-7-13/h10,13H,6-9,11H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine?
1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 365.49 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 167916357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).