6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine

C15H16N6 — CID 146045939

IUPAC6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine
SMILESCc1ccc2ncnc(N3CCC(c4ccn[nH]4)C3)c2n1
InChIInChI=1S/C15H16N6/c1-10-2-3-13-14(19-10)15(17-9-16-13)21-7-5-11(8-21)12-4-6-18-20-12/h2-4,6,9,11H,5,7-8H2,1H3,(H,18,20)
InChIKeyKRBDUEZQTGSBGD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.05
Rot. Bonds2

About 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine

6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine (PubChem CID 146045939) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine
PubChem CID146045939
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine
SMILESCc1ccc2ncnc(N3CCC(c4ccn[nH]4)C3)c2n1
InChIInChI=1S/C15H16N6/c1-10-2-3-13-14(19-10)15(17-9-16-13)21-7-5-11(8-21)12-4-6-18-20-12/h2-4,6,9,11H,5,7-8H2,1H3,(H,18,20)
InChIKeyKRBDUEZQTGSBGD-UHFFFAOYSA-N
XLogP2.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine
CID 154563734
4-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-6-methylpyrido[3,2-d]pyrimidine
CID 154568047
[4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 154570620
6-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine;6-(3-morpholin-4-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-amine;6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 158060122
6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 166271387
1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97075285
2-methyl-2-[[6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]purin-9-yl]methyl]propane-1,3-diol
CID 146137132
5-(4-methylphenyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95576399
2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95199685
(2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine
CID 95841720
2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 91645884
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine?
The IUPAC name of 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine (CID 146045939) is 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine is Cc1ccc2ncnc(N3CCC(c4ccn[nH]4)C3)c2n1.
What is the InChIKey of 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine?
The InChIKey is KRBDUEZQTGSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-10-2-3-13-14(19-10)15(17-9-16-13)21-7-5-11(8-21)12-4-6-18-20-12/h2-4,6,9,11H,5,7-8H2,1H3,(H,18,20).
What are the key properties of 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine?
6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine has a molecular weight of 280.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 146045939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).