ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate

C22H28N8O4 — CID 137138582

IUPACethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(Nc2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)CC1
InChIInChI=1S/C22H28N8O4/c1-2-34-22(33)26-15-7-3-13(4-8-15)24-17-10-18(25-14-5-6-14)30-19(28-17)12(11-23-30)9-16-20(31)29-21(32)27-16/h9-11,13-15,24,31H,2-8H2,1H3,(H,26,33)(H2,27,29,32)/b12-9?,25-18+
InChIKeyZXUAKWGMTLAAOG-KTESXYNBSA-N
MW468.52 g/mol
LogP0.53
Rot. Bonds6

About ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate

ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate (PubChem CID 137138582) has the molecular formula C22H28N8O4 and a molecular weight of 468.52 g/mol. Its IUPAC name is ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
PubChem CID137138582
Molecular FormulaC22H28N8O4
Molecular Weight468.52 g/mol
Exact Mass468.22
IUPAC Nameethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(Nc2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)CC1
InChIInChI=1S/C22H28N8O4/c1-2-34-22(33)26-15-7-3-13(4-8-15)24-17-10-18(25-14-5-6-14)30-19(28-17)12(11-23-30)9-16-20(31)29-21(32)27-16/h9-11,13-15,24,31H,2-8H2,1H3,(H,26,33)(H2,27,29,32)/b12-9?,25-18+
InChIKeyZXUAKWGMTLAAOG-KTESXYNBSA-N
XLogP0.53
TPSA161.79 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 50.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]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 ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate?
The IUPAC name of ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate (CID 137138582) is ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate?
The canonical SMILES for ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate is CCOC(=O)NC1CCC(Nc2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)CC1.
What is the InChIKey of ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate?
The InChIKey is ZXUAKWGMTLAAOG-KTESXYNBSA-N. The full InChI is InChI=1S/C22H28N8O4/c1-2-34-22(33)26-15-7-3-13(4-8-15)24-17-10-18(25-14-5-6-14)30-19(28-17)12(11-23-30)9-16-20(31)29-21(32)27-16/h9-11,13-15,24,31H,2-8H2,1H3,(H,26,33)(H2,27,29,32)/b12-9?,25-18+.
What are the key properties of ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate?
ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate has a molecular weight of 468.52 g/mol, XLogP of 0.53, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 137138582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).