6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine

C17H16N8 — CID 167818898

IUPAC6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine
SMILESCn1cc(C(Nc2cc(-n3ccnc3)ncn2)c2cccnc2)cn1
InChIInChI=1S/C17H16N8/c1-24-10-14(9-22-24)17(13-3-2-4-18-8-13)23-15-7-16(21-11-20-15)25-6-5-19-12-25/h2-12,17H,1H3,(H,20,21,23)
InChIKeyNUDOYPGRACPIFI-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.99
Rot. Bonds5

About 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine

6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine (PubChem CID 167818898) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine
PubChem CID167818898
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine
SMILESCn1cc(C(Nc2cc(-n3ccnc3)ncn2)c2cccnc2)cn1
InChIInChI=1S/C17H16N8/c1-24-10-14(9-22-24)17(13-3-2-4-18-8-13)23-15-7-16(21-11-20-15)25-6-5-19-12-25/h2-12,17H,1H3,(H,20,21,23)
InChIKeyNUDOYPGRACPIFI-UHFFFAOYSA-N
XLogP1.99
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-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

N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-8-(1-methylpyrrolo[3,2-b]pyridin-6-yl)quinoxalin-6-amine
CID 134509543
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 122291297
6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine
CID 95635195
4-imidazol-1-yl-6-propan-2-ylpyrimidine
CID 63811489
N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 110453184
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea
CID 121074248
N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide
CID 121135032
[(3-chloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 103445861
N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 110453536
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122338339
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 121073739
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(2-methylphenyl)urea
CID 70702504

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine (CID 167818898) is 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine is Cn1cc(C(Nc2cc(-n3ccnc3)ncn2)c2cccnc2)cn1.
What is the InChIKey of 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine?
The InChIKey is NUDOYPGRACPIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c1-24-10-14(9-22-24)17(13-3-2-4-18-8-13)23-15-7-16(21-11-20-15)25-6-5-19-12-25/h2-12,17H,1H3,(H,20,21,23).
What are the key properties of 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine?
6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 167818898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).