N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C34H37N9O4 — CID 171758372

IUPACN-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(N(C)Cc3cn4cc(C5CC5)cc(N5CC(=O)N(CCO)C5=O)c4n3)cc(C3CC3)n2)n1
InChIInChI=1S/C34H37N9O4/c1-19-7-8-35-31(36-19)25-14-26(25)33(46)39-29-13-24(12-27(38-29)21-5-6-21)40(2)16-23-17-41-15-22(20-3-4-20)11-28(32(41)37-23)43-18-30(45)42(9-10-44)34(43)47/h7-8,11-13,15,17,20-21,25-26,44H,3-6,9-10,14,16,18H2,1-2H3,(H,38,39,46)
InChIKeyDBQSLHBSYDHQPV-UHFFFAOYSA-N
MW635.73 g/mol
LogP3.72
Rot. Bonds11

About N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758372) has the molecular formula C34H37N9O4 and a molecular weight of 635.73 g/mol. Its IUPAC name is N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID171758372
Molecular FormulaC34H37N9O4
Molecular Weight635.73 g/mol
Exact Mass635.30
IUPAC NameN-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(N(C)Cc3cn4cc(C5CC5)cc(N5CC(=O)N(CCO)C5=O)c4n3)cc(C3CC3)n2)n1
InChIInChI=1S/C34H37N9O4/c1-19-7-8-35-31(36-19)25-14-26(25)33(46)39-29-13-24(12-27(38-29)21-5-6-21)40(2)16-23-17-41-15-22(20-3-4-20)11-28(32(41)37-23)43-18-30(45)42(9-10-44)34(43)47/h7-8,11-13,15,17,20-21,25-26,44H,3-6,9-10,14,16,18H2,1-2H3,(H,38,39,46)
InChIKeyDBQSLHBSYDHQPV-UHFFFAOYSA-N
XLogP3.72
TPSA149.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.73
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758372) is N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(N(C)Cc3cn4cc(C5CC5)cc(N5CC(=O)N(CCO)C5=O)c4n3)cc(C3CC3)n2)n1.
What is the InChIKey of N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is DBQSLHBSYDHQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N9O4/c1-19-7-8-35-31(36-19)25-14-26(25)33(46)39-29-13-24(12-27(38-29)21-5-6-21)40(2)16-23-17-41-15-22(20-3-4-20)11-28(32(41)37-23)43-18-30(45)42(9-10-44)34(43)47/h7-8,11-13,15,17,20-21,25-26,44H,3-6,9-10,14,16,18H2,1-2H3,(H,38,39,46).
What are the key properties of N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 635.73 g/mol, XLogP of 3.72, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).