3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine

C18H23N7 — CID 70715429

IUPAC3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine
SMILESCc1cnccc1NCCn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C18H23N7/c1-14-12-20-5-3-16(14)21-6-9-24-10-7-22-18(24)17-11-15-13-19-4-2-8-25(15)23-17/h3,5,7,10-12,19H,2,4,6,8-9,13H2,1H3,(H,20,21)
InChIKeyJKAUWPBPIVXZTC-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.06
Rot. Bonds5

About 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine

3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine (PubChem CID 70715429) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine
PubChem CID70715429
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine
SMILESCc1cnccc1NCCn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C18H23N7/c1-14-12-20-5-3-16(14)21-6-9-24-10-7-22-18(24)17-11-15-13-19-4-2-8-25(15)23-17/h3,5,7,10-12,19H,2,4,6,8-9,13H2,1H3,(H,20,21)
InChIKeyJKAUWPBPIVXZTC-UHFFFAOYSA-N
XLogP2.06
TPSA72.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-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

Cdk4/6-IN-3
CID 138911331
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
5-Ethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
CID 44626290
2-(1-methyl-1H-imidazol-2-yl)-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine
CID 118660604
US10399985, Example 16
CID 118278207
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 155550205
5-fluoro-N-[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 155568029
N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665425
N-[3-(1H-imidazol-1-yl)propyl]-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4885770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine?
The IUPAC name of 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine (CID 70715429) is 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine.
What is the SMILES notation for 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine?
The canonical SMILES for 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine is Cc1cnccc1NCCn1ccnc1-c1cc2n(n1)CCCNC2.
What is the InChIKey of 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine?
The InChIKey is JKAUWPBPIVXZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-14-12-20-5-3-16(14)21-6-9-24-10-7-22-18(24)17-11-15-13-19-4-2-8-25(15)23-17/h3,5,7,10-12,19H,2,4,6,8-9,13H2,1H3,(H,20,21).
What are the key properties of 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine?
3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]pyridin-4-amine is sourced from PubChem (CID 70715429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).