N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C21H27N7 — CID 56878592

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CCCN(C)c2nc(-c3cccnc3)nc3c2CCNC3)n1
InChIInChI=1S/C21H27N7/c1-15-12-16(2)28(26-15)11-5-10-27(3)21-18-7-9-23-14-19(18)24-20(25-21)17-6-4-8-22-13-17/h4,6,8,12-13,23H,5,7,9-11,14H2,1-3H3
InChIKeyWNAZBFDMMXVBOA-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.52
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56878592) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56878592
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CCCN(C)c2nc(-c3cccnc3)nc3c2CCNC3)n1
InChIInChI=1S/C21H27N7/c1-15-12-16(2)28(26-15)11-5-10-27(3)21-18-7-9-23-14-19(18)24-20(25-21)17-6-4-8-22-13-17/h4,6,8,12-13,23H,5,7,9-11,14H2,1-3H3
InChIKeyWNAZBFDMMXVBOA-UHFFFAOYSA-N
XLogP2.52
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56880327
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56889734
N,N-dimethyl-3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propan-1-amine
CID 82587315
N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56753256
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 7963240
2-pyridin-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56739355
N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 56754375
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine
CID 72854089
[4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
CID 56752919
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95229618
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95229619
N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 59340680

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56878592) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1cc(C)n(CCCN(C)c2nc(-c3cccnc3)nc3c2CCNC3)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is WNAZBFDMMXVBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-15-12-16(2)28(26-15)11-5-10-27(3)21-18-7-9-23-14-19(18)24-20(25-21)17-6-4-8-22-13-17/h4,6,8,12-13,23H,5,7,9-11,14H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 377.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56878592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).