trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C29H28N8O3 — CID 165132626

IUPACtrans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5C[C@@H]6C[C@@H]6C5=O)c4n3)cnn2)n1
InChIInChI=1S/C29H28N8O3/c1-15-4-5-30-26(32-15)22-9-23(22)28(38)34-25-8-20(10-31-35-25)40-14-19-13-36-11-17(16-2-3-16)7-24(27(36)33-19)37-12-18-6-21(18)29(37)39/h4-5,7-8,10-11,13,16,18,21-23H,2-3,6,9,12,14H2,1H3,(H,34,35,38)/t18-,21-,22-,23-/m0/s1
InChIKeyACDJAAKQSFPFOW-QGQQZZQASA-N
MW536.60 g/mol
LogP3.40
Rot. Bonds8

About trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 165132626) has the molecular formula C29H28N8O3 and a molecular weight of 536.60 g/mol. Its IUPAC name is trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID165132626
Molecular FormulaC29H28N8O3
Molecular Weight536.60 g/mol
Exact Mass536.23
IUPAC Nametrans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5C[C@@H]6C[C@@H]6C5=O)c4n3)cnn2)n1
InChIInChI=1S/C29H28N8O3/c1-15-4-5-30-26(32-15)22-9-23(22)28(38)34-25-8-20(10-31-35-25)40-14-19-13-36-11-17(16-2-3-16)7-24(27(36)33-19)37-12-18-6-21(18)29(37)39/h4-5,7-8,10-11,13,16,18,21-23H,2-3,6,9,12,14H2,1H3,(H,34,35,38)/t18-,21-,22-,23-/m0/s1
InChIKeyACDJAAKQSFPFOW-QGQQZZQASA-N
XLogP3.40
TPSA127.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 165132626) is trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5C[C@@H]6C[C@@H]6C5=O)c4n3)cnn2)n1.
What is the InChIKey of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is ACDJAAKQSFPFOW-QGQQZZQASA-N. The full InChI is InChI=1S/C29H28N8O3/c1-15-4-5-30-26(32-15)22-9-23(22)28(38)34-25-8-20(10-31-35-25)40-14-19-13-36-11-17(16-2-3-16)7-24(27(36)33-19)37-12-18-6-21(18)29(37)39/h4-5,7-8,10-11,13,16,18,21-23H,2-3,6,9,12,14H2,1H3,(H,34,35,38)/t18-,21-,22-,23-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 536.60 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 165132626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).