6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

C17H21N7 — CID 90017067

IUPAC6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cnn(C)c1C1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H21N7/c1-11-8-21-23(2)16(11)12-4-3-7-24(9-12)14-6-5-13-15(22-14)17(18)20-10-19-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,18,19,20)
InChIKeyFIWDDEYIMXFYTN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.03
Rot. Bonds2

About 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90017067) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90017067
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cnn(C)c1C1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H21N7/c1-11-8-21-23(2)16(11)12-4-3-7-24(9-12)14-6-5-13-15(22-14)17(18)20-10-19-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,18,19,20)
InChIKeyFIWDDEYIMXFYTN-UHFFFAOYSA-N
XLogP2.03
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (CID 90017067) is 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is Cc1cnn(C)c1C1CCCN(c2ccc3ncnc(N)c3n2)C1.
What is the InChIKey of 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is FIWDDEYIMXFYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-11-8-21-23(2)16(11)12-4-3-7-24(9-12)14-6-5-13-15(22-14)17(18)20-10-19-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90017067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).