4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C14H17N5 — CID 114739119

IUPAC4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCn1cc(-c2nc3c(c(C4CC4)n2)CNCC3)cn1
InChIInChI=1S/C14H17N5/c1-19-8-10(6-16-19)14-17-12-4-5-15-7-11(12)13(18-14)9-2-3-9/h6,8-9,15H,2-5,7H2,1H3
InChIKeyLRBBJJPAIJIWMF-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.40
Rot. Bonds2

About 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739119) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739119
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCn1cc(-c2nc3c(c(C4CC4)n2)CNCC3)cn1
InChIInChI=1S/C14H17N5/c1-19-8-10(6-16-19)14-17-12-4-5-15-7-11(12)13(18-14)9-2-3-9/h6,8-9,15H,2-5,7H2,1H3
InChIKeyLRBBJJPAIJIWMF-UHFFFAOYSA-N
XLogP1.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738324
4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739121
2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739362
4-cyclopropyl-2-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739566
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717
4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739202
2-(2-chloro-4-fluorophenyl)-4-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739157
N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351822
4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739238
1-methyl-3-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 162753819
5-chloro-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole
CID 65199684
4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739621

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739119) is 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cn1cc(-c2nc3c(c(C4CC4)n2)CNCC3)cn1.
What is the InChIKey of 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LRBBJJPAIJIWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-19-8-10(6-16-19)14-17-12-4-5-15-7-11(12)13(18-14)9-2-3-9/h6,8-9,15H,2-5,7H2,1H3.
What are the key properties of 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).