5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

C20H23N9 — CID 134512368

IUPAC5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESCn1cc(-c2cnc(Nc3ccc(C#N)nc3)nc2NCC2CCNCC2)cn1
InChIInChI=1S/C20H23N9/c1-29-13-15(10-26-29)18-12-25-20(27-17-3-2-16(8-21)23-11-17)28-19(18)24-9-14-4-6-22-7-5-14/h2-3,10-14,22H,4-7,9H2,1H3,(H2,24,25,27,28)
InChIKeyIWWLSGJVQNEGBU-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.30
Rot. Bonds6

About 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 134512368) has the molecular formula C20H23N9 and a molecular weight of 389.47 g/mol. Its IUPAC name is 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
PubChem CID134512368
Molecular FormulaC20H23N9
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESCn1cc(-c2cnc(Nc3ccc(C#N)nc3)nc2NCC2CCNCC2)cn1
InChIInChI=1S/C20H23N9/c1-29-13-15(10-26-29)18-12-25-20(27-17-3-2-16(8-21)23-11-17)28-19(18)24-9-14-4-6-22-7-5-14/h2-3,10-14,22H,4-7,9H2,1H3,(H2,24,25,27,28)
InChIKeyIWWLSGJVQNEGBU-UHFFFAOYSA-N
XLogP2.30
TPSA116.37 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile 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

5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 121347892
5-chloro-2-N-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 162732542
5-[[4-(pyrrolidin-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150547999
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-2-one
CID 121357779
5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile
CID 129115525
5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 121357806
5-[[4-(piperidin-4-ylmethylamino)-5-(3-sulfanylphenyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 70669554
ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784500
2-N-(3-fluorophenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
CID 142751224
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 68624379

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (CID 134512368) is 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is Cn1cc(-c2cnc(Nc3ccc(C#N)nc3)nc2NCC2CCNCC2)cn1.
What is the InChIKey of 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is IWWLSGJVQNEGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9/c1-29-13-15(10-26-29)18-12-25-20(27-17-3-2-16(8-21)23-11-17)28-19(18)24-9-14-4-6-22-7-5-14/h2-3,10-14,22H,4-7,9H2,1H3,(H2,24,25,27,28).
What are the key properties of 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 389.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(1-methylpyrazol-4-yl)-4-(piperidin-4-ylmethylamino)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134512368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).