trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C29H29N9O4 — CID 165131711

IUPACtrans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)c(C)nn2)n1
InChIInChI=1S/C29H29N9O4/c1-15-6-7-30-26(31-15)20-9-21(20)28(40)33-24-10-23(16(2)34-35-24)42-14-19-12-37-11-18(17-4-5-17)8-22(27(37)32-19)38-13-25(39)36(3)29(38)41/h6-8,10-12,17,20-21H,4-5,9,13-14H2,1-3H3,(H,33,35,40)/t20-,21-/m0/s1
InChIKeyXQDVINPMPQTARK-SFTDATJTSA-N
MW567.61 g/mol
LogP3.13
Rot. Bonds8

About trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 165131711) has the molecular formula C29H29N9O4 and a molecular weight of 567.61 g/mol. Its IUPAC name is trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID165131711
Molecular FormulaC29H29N9O4
Molecular Weight567.61 g/mol
Exact Mass567.23
IUPAC Nametrans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)c(C)nn2)n1
InChIInChI=1S/C29H29N9O4/c1-15-6-7-30-26(31-15)20-9-21(20)28(40)33-24-10-23(16(2)34-35-24)42-14-19-12-37-11-18(17-4-5-17)8-22(27(37)32-19)38-13-25(39)36(3)29(38)41/h6-8,10-12,17,20-21H,4-5,9,13-14H2,1-3H3,(H,33,35,40)/t20-,21-/m0/s1
InChIKeyXQDVINPMPQTARK-SFTDATJTSA-N
XLogP3.13
TPSA147.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.61
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 165131711) is trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)c(C)nn2)n1.
What is the InChIKey of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is XQDVINPMPQTARK-SFTDATJTSA-N. The full InChI is InChI=1S/C29H29N9O4/c1-15-6-7-30-26(31-15)20-9-21(20)28(40)33-24-10-23(16(2)34-35-24)42-14-19-12-37-11-18(17-4-5-17)8-22(27(37)32-19)38-13-25(39)36(3)29(38)41/h6-8,10-12,17,20-21H,4-5,9,13-14H2,1-3H3,(H,33,35,40)/t20-,21-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 567.61 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-6-methylpyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 165131711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).