4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C17H23N7 — CID 56864256

IUPAC4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCc4[nH]nc(C5CCC5)c4C3)n1)CCNC2
InChIInChI=1S/C17H23N7/c18-17-20-14-8-19-6-4-11(14)16(21-17)24-7-5-13-12(9-24)15(23-22-13)10-2-1-3-10/h10,19H,1-9H2,(H,22,23)(H2,18,20,21)
InChIKeyAHGDRSRMARYMSV-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.26
Rot. Bonds2

About 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 56864256) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID56864256
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCc4[nH]nc(C5CCC5)c4C3)n1)CCNC2
InChIInChI=1S/C17H23N7/c18-17-20-14-8-19-6-4-11(14)16(21-17)24-7-5-13-12(9-24)15(23-22-13)10-2-1-3-10/h10,19H,1-9H2,(H,22,23)(H2,18,20,21)
InChIKeyAHGDRSRMARYMSV-UHFFFAOYSA-N
XLogP1.26
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 56864256) is 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is Nc1nc2c(c(N3CCc4[nH]nc(C5CCC5)c4C3)n1)CCNC2.
What is the InChIKey of 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is AHGDRSRMARYMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c18-17-20-14-8-19-6-4-11(14)16(21-17)24-7-5-13-12(9-24)15(23-22-13)10-2-1-3-10/h10,19H,1-9H2,(H,22,23)(H2,18,20,21).
What are the key properties of 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 325.42 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 56864256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).