trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-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

C27H25ClN8O3 — CID 165134021

About trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-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-(4-chloro-2-pyridinyl)-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 165134021) has the molecular formula C27H25ClN8O3 and a molecular weight of 545.00 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-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-(4-chloro-2-pyridinyl)-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: 165134021
• Molecular Formula: C27H25ClN8O3
• Molecular Weight: 545.00 g/mol
• Exact Mass: 544.17
• IUPAC Name: trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-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]1c1cc(Cl)ccn1
• InChI: InChI=1S/C27H25ClN8O3/c28-17-3-4-29-22(9-17)20-11-21(20)26(37)33-24-12-23(31-14-32-24)30-13-18-10-19-7-16(15-1-2-15)8-25(36(19)34-18)35-5-6-39-27(35)38/h3-4,7-10,12,14-15,20-21H,1-2,5-6,11,13H2,(H2,30,31,32,33,37)/t20-,21-/m0/s1
• InChIKey: GIBCLHRERMQXGC-SFTDATJTSA-N
• XLogP: 4.36
• TPSA: 126.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.00
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-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-(4-chloro-2-pyridinyl)-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 165134021) is trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-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-(4-chloro-2-pyridinyl)-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-(4-chloro-2-pyridinyl)-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]1c1cc(Cl)ccn1.

What is the InChIKey of trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-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 GIBCLHRERMQXGC-SFTDATJTSA-N. The full InChI is InChI=1S/C27H25ClN8O3/c28-17-3-4-29-22(9-17)20-11-21(20)26(37)33-24-12-23(31-14-32-24)30-13-18-10-19-7-16(15-1-2-15)8-25(36(19)34-18)35-5-6-39-27(35)38/h3-4,7-10,12,14-15,20-21H,1-2,5-6,11,13H2,(H2,30,31,32,33,37)/t20-,21-/m0/s1.

What are the key properties of trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-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-(4-chloro-2-pyridinyl)-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 545.00 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-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 165134021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).