N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane

About N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane

N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane (PubChem CID 165132840) has the molecular formula C31H35N11O3 and a molecular weight of 609.70 g/mol. Its IUPAC name is N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound Name	N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane
PubChem CID	165132840
Molecular Formula	C31H35N11O3
Molecular Weight	609.70 g/mol
Exact Mass	609.29
IUPAC Name	N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane
SMILES	CC.Cc1ccnc(C2CC2C(=O)Nc2ncnc(N)c2/C=N/Cc2cn3cc(C4CC4)cc(N4CC(=O)N(C)C4=O)c3n2)n1
InChI	InChI=1S/C29H29N11O3.C2H6/c1-15-5-6-32-25(35-15)19-8-20(19)28(42)37-26-21(24(30)33-14-34-26)10-31-9-18-12-39-11-17(16-3-4-16)7-22(27(39)36-18)40-13-23(41)38(2)29(40)43;1-2/h5-7,10-12,14,16,19-20H,3-4,8-9,13H2,1-2H3,(H3,30,33,34,37,42);1-2H3/b31-10+;
InChIKey	IURHOTWPTKOELD-XDWFMGGQSA-N
XLogP	3.47
TPSA	176.96 Å²
H-Bond Donors	2
H-Bond Acceptors	11
Rotatable Bonds	8
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.70
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane?

The IUPAC name of N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane (CID 165132840) is N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane.

What is the SMILES notation for N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane?

The canonical SMILES for N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane is CC.Cc1ccnc(C2CC2C(=O)Nc2ncnc(N)c2/C=N/Cc2cn3cc(C4CC4)cc(N4CC(=O)N(C)C4=O)c3n2)n1.

What is the InChIKey of N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane?

The InChIKey is IURHOTWPTKOELD-XDWFMGGQSA-N. The full InChI is InChI=1S/C29H29N11O3.C2H6/c1-15-5-6-32-25(35-15)19-8-20(19)28(42)37-26-21(24(30)33-14-34-26)10-31-9-18-12-39-11-17(16-3-4-16)7-22(27(39)36-18)40-13-23(41)38(2)29(40)43;1-2/h5-7,10-12,14,16,19-20H,3-4,8-9,13H2,1-2H3,(H3,30,33,34,37,42);1-2H3/b31-10+;.

What are the key properties of N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane?

N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane has a molecular weight of 609.70 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyliminomethyl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 165132840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).