trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

C28H26ClN7O3 — CID 165134283

About trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 165134283) has the molecular formula C28H26ClN7O3 and a molecular weight of 544.02 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
• PubChem CID: 165134283
• Molecular Formula: C28H26ClN7O3
• Molecular Weight: 544.02 g/mol
• Exact Mass: 543.18
• IUPAC Name: trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1cc(NCc2cc3cc(C4CC4)cc(N4CCOC4=O)n3n2)ncn1)[C@H]1C[C@@H]1c1cccc(Cl)c1
• InChI: InChI=1S/C28H26ClN7O3/c29-19-3-1-2-17(8-19)22-12-23(22)27(37)33-25-13-24(31-15-32-25)30-14-20-11-21-9-18(16-4-5-16)10-26(36(21)34-20)35-6-7-39-28(35)38/h1-3,8-11,13,15-16,22-23H,4-7,12,14H2,(H2,30,31,32,33,37)/t22-,23+/m1/s1
• InChIKey: LMJUNQRGLPEFFZ-PKTZIBPZSA-N
• XLogP: 4.97
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.02
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (CID 165134283) is trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is O=C(Nc1cc(NCc2cc3cc(C4CC4)cc(N4CCOC4=O)n3n2)ncn1)[C@H]1C[C@@H]1c1cccc(Cl)c1.

What is the InChIKey of trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The InChIKey is LMJUNQRGLPEFFZ-PKTZIBPZSA-N. The full InChI is InChI=1S/C28H26ClN7O3/c29-19-3-1-2-17(8-19)22-12-23(22)27(37)33-25-13-24(31-15-32-25)30-14-20-11-21-9-18(16-4-5-16)10-26(36(21)34-20)35-6-7-39-28(35)38/h1-3,8-11,13,15-16,22-23H,4-7,12,14H2,(H2,30,31,32,33,37)/t22-,23+/m1/s1.

What are the key properties of trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 544.02 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165134283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).