4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide

C24H30N8O2 — CID 172628955

IUPAC4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2cnn(C)c2)nc1Nc1cccc(OC2CCN(C)CC2)c1
InChIInChI=1S/C24H30N8O2/c1-4-10-25-23(33)21-15-26-24(29-18-14-27-32(3)16-18)30-22(21)28-17-6-5-7-20(13-17)34-19-8-11-31(2)12-9-19/h4-7,13-16,19H,1,8-12H2,2-3H3,(H,25,33)(H2,26,28,29,30)
InChIKeyHCEPQIIJZCPWCU-UHFFFAOYSA-N
MW462.56 g/mol
LogP3.09
Rot. Bonds9

About 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide

4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 172628955) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide
PubChem CID172628955
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2cnn(C)c2)nc1Nc1cccc(OC2CCN(C)CC2)c1
InChIInChI=1S/C24H30N8O2/c1-4-10-25-23(33)21-15-26-24(29-18-14-27-32(3)16-18)30-22(21)28-17-6-5-7-20(13-17)34-19-8-11-31(2)12-9-19/h4-7,13-16,19H,1,8-12H2,2-3H3,(H,25,33)(H2,26,28,29,30)
InChIKeyHCEPQIIJZCPWCU-UHFFFAOYSA-N
XLogP3.09
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide 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

4-[[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]amino]-N-prop-2-enyl-2-(3-pyridin-3-ylanilino)pyrimidine-5-carboxamide;molecular hydrogen
CID 172628794
N-ethyl-4-[[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]amino]-2-(3-phenylanilino)pyrimidine-5-carboxamide
CID 172629254
2-(3-fluoro-5-methylanilino)-4-[[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 172629215
2-[(1-propan-2-ylindazol-5-yl)amino]-N-prop-2-enyl-4-[[6-[1-(trihydroxymethyl)piperidin-4-yl]oxy-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 172628938
4-[[(3S)-3-hydroxy-3-methyl-1,2-dihydroinden-5-yl]amino]-2-[4-(4-methylpiperazin-1-yl)anilino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 156524074
4-[[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]amino]-2-[3-(trihydroxymethyl)anilino]pyrimidine-5-carbaldehyde;N-methylprop-2-en-1-amine
CID 172628759
4-[(3-methyl-2,3-dihydrofuro[2,3-b]pyridin-5-yl)amino]-2-[4-(4-methylpiperazin-1-yl)anilino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 139482509
(1S,2S,3R,4R)-3-[[5-fluoro-2-[3-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 59381829
3-[[5-fluoro-2-[3-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 66873220
4-[[(3R)-3-ethyl-3-hydroxy-2H-1-benzofuran-5-yl]amino]-2-[4-(4-methylpiperazin-1-yl)anilino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 156524214
4-(4-fluoroanilino)-N-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557143
4-[(7-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazol-2-yl)amino]-2-[4-(4-methylpiperazin-1-yl)anilino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 176966928

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide?
The IUPAC name of 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide (CID 172628955) is 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(Nc2cnn(C)c2)nc1Nc1cccc(OC2CCN(C)CC2)c1.
What is the InChIKey of 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide?
The InChIKey is HCEPQIIJZCPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-4-10-25-23(33)21-15-26-24(29-18-14-27-32(3)16-18)30-22(21)28-17-6-5-7-20(13-17)34-19-8-11-31(2)12-9-19/h4-7,13-16,19H,1,8-12H2,2-3H3,(H,25,33)(H2,26,28,29,30).
What are the key properties of 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide?
4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 462.56 g/mol, XLogP of 3.09, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 172628955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).