N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C32H36N10O5 — CID 171758618

IUPACN-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)nc(OCCN(C)C)n2)n1
InChIInChI=1S/C32H36N10O5/c1-18-7-8-33-28(34-18)22-12-23(22)30(44)36-25-13-26(38-31(37-25)46-10-9-39(2)3)47-17-21-15-41-14-20(19-5-6-19)11-24(29(41)35-21)42-16-27(43)40(4)32(42)45/h7-8,11,13-15,19,22-23H,5-6,9-10,12,16-17H2,1-4H3,(H,36,37,38,44)
InChIKeyMQNLUWZXTWGBDU-UHFFFAOYSA-N
MW640.71 g/mol
LogP2.76
Rot. Bonds12

About N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758618) has the molecular formula C32H36N10O5 and a molecular weight of 640.71 g/mol. Its IUPAC name is N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID171758618
Molecular FormulaC32H36N10O5
Molecular Weight640.71 g/mol
Exact Mass640.29
IUPAC NameN-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)nc(OCCN(C)C)n2)n1
InChIInChI=1S/C32H36N10O5/c1-18-7-8-33-28(34-18)22-12-23(22)30(44)36-25-13-26(38-31(37-25)46-10-9-39(2)3)47-17-21-15-41-14-20(19-5-6-19)11-24(29(41)35-21)42-16-27(43)40(4)32(42)45/h7-8,11,13-15,19,22-23H,5-6,9-10,12,16-17H2,1-4H3,(H,36,37,38,44)
InChIKeyMQNLUWZXTWGBDU-UHFFFAOYSA-N
XLogP2.76
TPSA160.28 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]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-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758618) is N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)nc(OCCN(C)C)n2)n1.
What is the InChIKey of N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is MQNLUWZXTWGBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N10O5/c1-18-7-8-33-28(34-18)22-12-23(22)30(44)36-25-13-26(38-31(37-25)46-10-9-39(2)3)47-17-21-15-41-14-20(19-5-6-19)11-24(29(41)35-21)42-16-27(43)40(4)32(42)45/h7-8,11,13-15,19,22-23H,5-6,9-10,12,16-17H2,1-4H3,(H,36,37,38,44).
What are the key properties of N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 640.71 g/mol, XLogP of 2.76, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).