3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

C30H34N6 — CID 11375016

IUPAC3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(Cc1ccc2ccccc2c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C30H34N6/c1-7-14-35(19-23-12-13-24-10-8-9-11-25(24)17-23)28-16-21(3)32-30-29(22(4)33-36(28)30)26-18-31-27(34(5)6)15-20(26)2/h8-13,15-18H,7,14,19H2,1-6H3
InChIKeyKMEIEVDXLDQYLD-UHFFFAOYSA-N
MW478.64 g/mol
LogP6.35
Rot. Bonds7

About 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11375016) has the molecular formula C30H34N6 and a molecular weight of 478.64 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11375016
Molecular FormulaC30H34N6
Molecular Weight478.64 g/mol
Exact Mass478.28
IUPAC Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(Cc1ccc2ccccc2c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C30H34N6/c1-7-14-35(19-23-12-13-24-10-8-9-11-25(24)17-23)28-16-21(3)32-30-29(22(4)33-36(28)30)26-18-31-27(34(5)6)15-20(26)2/h8-13,15-18H,7,14,19H2,1-6H3
InChIKeyKMEIEVDXLDQYLD-UHFFFAOYSA-N
XLogP6.35
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11375016) is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(Cc1ccc2ccccc2c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12.
What is the InChIKey of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KMEIEVDXLDQYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6/c1-7-14-35(19-23-12-13-24-10-8-9-11-25(24)17-23)28-16-21(3)32-30-29(22(4)33-36(28)30)26-18-31-27(34(5)6)15-20(26)2/h8-13,15-18H,7,14,19H2,1-6H3.
What are the key properties of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 478.64 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(naphthalen-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11375016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).