N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine

C26H29N7O — CID 142395558

IUPACN-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCOCCN1CCC(c2ccc(Nc3nccc(-c4cn[nH]c4-c4cccnc4)n3)cc2)CC1
InChIInChI=1S/C26H29N7O/c1-34-16-15-33-13-9-20(10-14-33)19-4-6-22(7-5-19)30-26-28-12-8-24(31-26)23-18-29-32-25(23)21-3-2-11-27-17-21/h2-8,11-12,17-18,20H,9-10,13-16H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyUIAWEMHZCCDAED-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.50
Rot. Bonds8

About N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine

N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 142395558) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID142395558
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC NameN-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCOCCN1CCC(c2ccc(Nc3nccc(-c4cn[nH]c4-c4cccnc4)n3)cc2)CC1
InChIInChI=1S/C26H29N7O/c1-34-16-15-33-13-9-20(10-14-33)19-4-6-22(7-5-19)30-26-28-12-8-24(31-26)23-18-29-32-25(23)21-3-2-11-27-17-21/h2-8,11-12,17-18,20H,9-10,13-16H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyUIAWEMHZCCDAED-UHFFFAOYSA-N
XLogP4.50
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-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-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141081134
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 155513601
N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 142395638
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 10457588
4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 141081137
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 10456191
4-methyl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 155689008
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide
CID 155688870
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 10321920
N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25212282
4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 153277392
N-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]phenyl]-6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688921

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine (CID 142395558) is N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine is COCCN1CCC(c2ccc(Nc3nccc(-c4cn[nH]c4-c4cccnc4)n3)cc2)CC1.
What is the InChIKey of N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is UIAWEMHZCCDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-34-16-15-33-13-9-20(10-14-33)19-4-6-22(7-5-19)30-26-28-12-8-24(31-26)23-18-29-32-25(23)21-3-2-11-27-17-21/h2-8,11-12,17-18,20H,9-10,13-16H2,1H3,(H,29,32)(H,28,30,31).
What are the key properties of N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 455.57 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 142395558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).