methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate

C25H28N8O3 — CID 90275573

IUPACmethyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cn3)n2)CC1
InChIInChI=1S/C25H28N8O3/c1-16-4-9-21(27-13-16)33-22(30-24(34)19-15-29-32-11-3-10-26-23(19)32)12-20(31-33)18-7-5-17(6-8-18)14-28-25(35)36-2/h3-4,9-13,15,17-18H,5-8,14H2,1-2H3,(H,28,35)(H,30,34)
InChIKeyJVPKEXKFGDPKAZ-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.50
Rot. Bonds6

About methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate

methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate (PubChem CID 90275573) has the molecular formula C25H28N8O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate
PubChem CID90275573
Molecular FormulaC25H28N8O3
Molecular Weight488.55 g/mol
Exact Mass488.23
IUPAC Namemethyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cn3)n2)CC1
InChIInChI=1S/C25H28N8O3/c1-16-4-9-21(27-13-16)33-22(30-24(34)19-15-29-32-11-3-10-26-23(19)32)12-20(31-33)18-7-5-17(6-8-18)14-28-25(35)36-2/h3-4,9-13,15,17-18H,5-8,14H2,1-2H3,(H,28,35)(H,30,34)
InChIKeyJVPKEXKFGDPKAZ-UHFFFAOYSA-N
XLogP3.50
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate (CID 90275573) is methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate is COC(=O)NCC1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cn3)n2)CC1.
What is the InChIKey of methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate?
The InChIKey is JVPKEXKFGDPKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3/c1-16-4-9-21(27-13-16)33-22(30-24(34)19-15-29-32-11-3-10-26-23(19)32)12-20(31-33)18-7-5-17(6-8-18)14-28-25(35)36-2/h3-4,9-13,15,17-18H,5-8,14H2,1-2H3,(H,28,35)(H,30,34).
What are the key properties of methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate?
methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate has a molecular weight of 488.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 90275573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).