N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

C27H32N6 — CID 91231639

IUPACN,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNC1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(C)C)c2C)CC1
InChIInChI=1S/C27H32N6/c1-18-25(20-10-13-22(28-2)14-11-20)31-26-23(17-30-33(26)27(18)32(3)4)21-12-15-24(29-16-21)19-8-6-5-7-9-19/h5-9,12,15-17,20,22,28H,10-11,13-14H2,1-4H3
InChIKeyIIFLMFKOSJJEIY-UHFFFAOYSA-N
MW440.60 g/mol
LogP5.08
Rot. Bonds5

About N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 91231639) has the molecular formula C27H32N6 and a molecular weight of 440.60 g/mol. Its IUPAC name is N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID91231639
Molecular FormulaC27H32N6
Molecular Weight440.60 g/mol
Exact Mass440.27
IUPAC NameN,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNC1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(C)C)c2C)CC1
InChIInChI=1S/C27H32N6/c1-18-25(20-10-13-22(28-2)14-11-20)31-26-23(17-30-33(26)27(18)32(3)4)21-12-15-24(29-16-21)19-8-6-5-7-9-19/h5-9,12,15-17,20,22,28H,10-11,13-14H2,1-4H3
InChIKeyIIFLMFKOSJJEIY-UHFFFAOYSA-N
XLogP5.08
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.60
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[6-bromo-7-(dimethylamino)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate
CID 91349808
4-[6-(1-ethoxyethenyl)-3-(6-phenyl-3-pyridinyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]-N-methylcyclohexan-1-amine
CID 91146354
5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-6-methyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128260
6-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]spiro[2.5]octane-2-carboxylic acid
CID 91170541
4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide
CID 135998718
5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 77261166
(2S)-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid
CID 66733314
6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 67494568
2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-oxoacetic acid
CID 67494456
(2S)-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87130735
2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87421796
[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanol
CID 71128266

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 91231639) is N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is CNC1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(C)C)c2C)CC1.
What is the InChIKey of N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IIFLMFKOSJJEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6/c1-18-25(20-10-13-22(28-2)14-11-20)31-26-23(17-30-33(26)27(18)32(3)4)21-12-15-24(29-16-21)19-8-6-5-7-9-19/h5-9,12,15-17,20,22,28H,10-11,13-14H2,1-4H3.
What are the key properties of N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 440.60 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 91231639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).