N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide

C26H38N6O3 — CID 137396484

IUPACN-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCOC(C)(C)CNc1cc(NCC(C)(C)O)nc2c(C3C=CC(C(=O)NC4CC4)=C(C)C3)cnn12
InChIInChI=1S/C26H38N6O3/c1-16-11-17(7-10-19(16)24(33)30-18-8-9-18)20-13-29-32-22(28-15-26(4,5)35-6)12-21(31-23(20)32)27-14-25(2,3)34/h7,10,12-13,17-18,28,34H,8-9,11,14-15H2,1-6H3,(H,27,31)(H,30,33)
InChIKeyULTWMWDYUUEIIU-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.39
Rot. Bonds10

About N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide

N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 137396484) has the molecular formula C26H38N6O3 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID137396484
Molecular FormulaC26H38N6O3
Molecular Weight482.63 g/mol
Exact Mass482.30
IUPAC NameN-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCOC(C)(C)CNc1cc(NCC(C)(C)O)nc2c(C3C=CC(C(=O)NC4CC4)=C(C)C3)cnn12
InChIInChI=1S/C26H38N6O3/c1-16-11-17(7-10-19(16)24(33)30-18-8-9-18)20-13-29-32-22(28-15-26(4,5)35-6)12-21(31-23(20)32)27-14-25(2,3)34/h7,10,12-13,17-18,28,34H,8-9,11,14-15H2,1-6H3,(H,27,31)(H,30,33)
InChIKeyULTWMWDYUUEIIU-UHFFFAOYSA-N
XLogP3.39
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide (CID 137396484) is N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide is COC(C)(C)CNc1cc(NCC(C)(C)O)nc2c(C3C=CC(C(=O)NC4CC4)=C(C)C3)cnn12.
What is the InChIKey of N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is ULTWMWDYUUEIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O3/c1-16-11-17(7-10-19(16)24(33)30-18-8-9-18)20-13-29-32-22(28-15-26(4,5)35-6)12-21(31-23(20)32)27-14-25(2,3)34/h7,10,12-13,17-18,28,34H,8-9,11,14-15H2,1-6H3,(H,27,31)(H,30,33).
What are the key properties of N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide?
N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 3.39, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 137396484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).