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

C20H25N7 — CID 56880327

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CC(C)Nc2nc(-c3cccnc3)nc3c2CCNC3)n1
InChIInChI=1S/C20H25N7/c1-13-9-15(3)27(26-13)12-14(2)23-20-17-6-8-22-11-18(17)24-19(25-20)16-5-4-7-21-10-16/h4-5,7,9-10,14,22H,6,8,11-12H2,1-3H3,(H,23,24,25)
InChIKeyCWHBHVCJGAIRAA-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.50
Rot. Bonds5

About 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

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 (PubChem CID 56880327) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56880327
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CC(C)Nc2nc(-c3cccnc3)nc3c2CCNC3)n1
InChIInChI=1S/C20H25N7/c1-13-9-15(3)27(26-13)12-14(2)23-20-17-6-8-22-11-18(17)24-19(25-20)16-5-4-7-21-10-16/h4-5,7,9-10,14,22H,6,8,11-12H2,1-3H3,(H,23,24,25)
InChIKeyCWHBHVCJGAIRAA-UHFFFAOYSA-N
XLogP2.50
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)n(CC(C)Nc2nc(-c3cccnc3)nc3c2CCNC3)n1.
What is the InChIKey of 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?
The InChIKey is CWHBHVCJGAIRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-13-9-15(3)27(26-13)12-14(2)23-20-17-6-8-22-11-18(17)24-19(25-20)16-5-4-7-21-10-16/h4-5,7,9-10,14,22H,6,8,11-12H2,1-3H3,(H,23,24,25).
What are the key properties of 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?
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 has a molecular weight of 363.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56880327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).