1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea

C25H33N7O3 — CID 143794617

IUPAC1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nc(N3CCCC(OC)C3)c3cnn(C4CCC(O)CC4)c3n2)cc1
InChIInChI=1S/C25H33N7O3/c1-26-25(34)28-17-7-5-16(6-8-17)22-29-23(31-13-3-4-20(15-31)35-2)21-14-27-32(24(21)30-22)18-9-11-19(33)12-10-18/h5-8,14,18-20,33H,3-4,9-13,15H2,1-2H3,(H2,26,28,34)
InChIKeyKMQLIJBHHLDQPJ-UHFFFAOYSA-N
MW479.59 g/mol
LogP3.34
Rot. Bonds5

About 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea

1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea (PubChem CID 143794617) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
PubChem CID143794617
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC Name1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nc(N3CCCC(OC)C3)c3cnn(C4CCC(O)CC4)c3n2)cc1
InChIInChI=1S/C25H33N7O3/c1-26-25(34)28-17-7-5-16(6-8-17)22-29-23(31-13-3-4-20(15-31)35-2)21-14-27-32(24(21)30-22)18-9-11-19(33)12-10-18/h5-8,14,18-20,33H,3-4,9-13,15H2,1-2H3,(H2,26,28,34)
InChIKeyKMQLIJBHHLDQPJ-UHFFFAOYSA-N
XLogP3.34
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea 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

1-[4-[1-(4-hydroxycyclohexyl)-4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 66589007
1-cyclopropyl-3-[4-[1-(4-methoxycyclohexyl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 57424565
1-cyclopropyl-3-[4-[1-(4-methoxycyclohexyl)-4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 66588962
1-methyl-3-[4-[4-morpholin-4-yl-1-(thian-4-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68865284
propan-2-yl 4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44605249
1-methyl-3-[4-[4-morpholin-4-yl-1-[(3S)-piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68867726
2-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]propanoic acid
CID 69274018
1-methyl-3-[4-[1-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 25262946
phenyl 4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 68866548
1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 58491949
1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68866595
1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 25262616

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea (CID 143794617) is 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(-c2nc(N3CCCC(OC)C3)c3cnn(C4CCC(O)CC4)c3n2)cc1.
What is the InChIKey of 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea?
The InChIKey is KMQLIJBHHLDQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-26-25(34)28-17-7-5-16(6-8-17)22-29-23(31-13-3-4-20(15-31)35-2)21-14-27-32(24(21)30-22)18-9-11-19(33)12-10-18/h5-8,14,18-20,33H,3-4,9-13,15H2,1-2H3,(H2,26,28,34).
What are the key properties of 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea?
1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea has a molecular weight of 479.59 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea is sourced from PubChem (CID 143794617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).