trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

C25H24ClN7O — CID 165133172

About trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 165133172) has the molecular formula C25H24ClN7O and a molecular weight of 473.97 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
• PubChem CID: 165133172
• Molecular Formula: C25H24ClN7O
• Molecular Weight: 473.97 g/mol
• Exact Mass: 473.17
• IUPAC Name: trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
• SMILES: Nc1cc(Cl)cc([C@@H]2C[C@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)ccc4n3)ncn2)c1
• InChI: InChI=1S/C25H24ClN7O/c26-17-5-16(6-18(27)7-17)20-8-21(20)25(34)32-23-9-22(29-13-30-23)28-10-19-12-33-11-15(14-1-2-14)3-4-24(33)31-19/h3-7,9,11-14,20-21H,1-2,8,10,27H2,(H2,28,29,30,32,34)/t20-,21+/m0/s1
• InChIKey: CCZIZKCCILTGAT-LEWJYISDSA-N
• XLogP: 4.59
• TPSA: 110.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.97
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (CID 165133172) is trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is Nc1cc(Cl)cc([C@@H]2C[C@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)ccc4n3)ncn2)c1.

What is the InChIKey of trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The InChIKey is CCZIZKCCILTGAT-LEWJYISDSA-N. The full InChI is InChI=1S/C25H24ClN7O/c26-17-5-16(6-18(27)7-17)20-8-21(20)25(34)32-23-9-22(29-13-30-23)28-10-19-12-33-11-15(14-1-2-14)3-4-24(33)31-19/h3-7,9,11-14,20-21H,1-2,8,10,27H2,(H2,28,29,30,32,34)/t20-,21+/m0/s1.

What are the key properties of trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 473.97 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165133172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).