N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C36H35N9O5 — CID 165133335

IUPACN-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(CCOCc6ccccc6)C5=O)c4n3)ncn2)n1
InChIInChI=1S/C36H35N9O5/c1-22-9-10-37-33(40-22)27-14-28(27)35(47)42-30-15-31(39-21-38-30)50-20-26-17-43-16-25(24-7-8-24)13-29(34(43)41-26)45-18-32(46)44(36(45)48)11-12-49-19-23-5-3-2-4-6-23/h2-6,9-10,13,15-17,21,24,27-28H,7-8,11-12,14,18-20H2,1H3,(H,38,39,42,47)
InChIKeyHZDFRBURVKRGHL-UHFFFAOYSA-N
MW673.73 g/mol
LogP4.41
Rot. Bonds13

About N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 165133335) has the molecular formula C36H35N9O5 and a molecular weight of 673.73 g/mol. Its IUPAC name is N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID165133335
Molecular FormulaC36H35N9O5
Molecular Weight673.73 g/mol
Exact Mass673.28
IUPAC NameN-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(CCOCc6ccccc6)C5=O)c4n3)ncn2)n1
InChIInChI=1S/C36H35N9O5/c1-22-9-10-37-33(40-22)27-14-28(27)35(47)42-30-15-31(39-21-38-30)50-20-26-17-43-16-25(24-7-8-24)13-29(34(43)41-26)45-18-32(46)44(36(45)48)11-12-49-19-23-5-3-2-4-6-23/h2-6,9-10,13,15-17,21,24,27-28H,7-8,11-12,14,18-20H2,1H3,(H,38,39,42,47)
InChIKeyHZDFRBURVKRGHL-UHFFFAOYSA-N
XLogP4.41
TPSA157.04 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.73
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-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-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 165133335) is N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(CCOCc6ccccc6)C5=O)c4n3)ncn2)n1.
What is the InChIKey of N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is HZDFRBURVKRGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N9O5/c1-22-9-10-37-33(40-22)27-14-28(27)35(47)42-30-15-31(39-21-38-30)50-20-26-17-43-16-25(24-7-8-24)13-29(34(43)41-26)45-18-32(46)44(36(45)48)11-12-49-19-23-5-3-2-4-6-23/h2-6,9-10,13,15-17,21,24,27-28H,7-8,11-12,14,18-20H2,1H3,(H,38,39,42,47).
What are the key properties of N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 673.73 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-cyclopropyl-8-[2,4-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 165133335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).