N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C25H29ClN6 — CID 11236249

IUPACN-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C25H29ClN6/c1-7-31(15-19-8-10-20(26)11-9-19)23-13-17(3)28-25-24(18(4)29-32(23)25)21-14-27-22(30(5)6)12-16(21)2/h8-14H,7,15H2,1-6H3
InChIKeyWCDPCWZRDBSBJA-UHFFFAOYSA-N
MW449.00 g/mol
LogP5.46
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11236249) has the molecular formula C25H29ClN6 and a molecular weight of 449.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11236249
Molecular FormulaC25H29ClN6
Molecular Weight449.00 g/mol
Exact Mass448.21
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C25H29ClN6/c1-7-31(15-19-8-10-20(26)11-9-19)23-13-17(3)28-25-24(18(4)29-32(23)25)21-14-27-22(30(5)6)12-16(21)2/h8-14H,7,15H2,1-6H3
InChIKeyWCDPCWZRDBSBJA-UHFFFAOYSA-N
XLogP5.46
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.00
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11236249) is N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WCDPCWZRDBSBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6/c1-7-31(15-19-8-10-20(26)11-9-19)23-13-17(3)28-25-24(18(4)29-32(23)25)21-14-27-22(30(5)6)12-16(21)2/h8-14H,7,15H2,1-6H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 449.00 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11236249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).