cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide

C25H22ClFN6O — CID 165132462

IUPACcis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1)[C@@]1(F)C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C25H22ClFN6O/c26-18-3-1-2-16(8-18)20-10-25(20,27)24(34)32-22-9-21(29-14-30-22)28-11-19-13-33-12-17(15-4-5-15)6-7-23(33)31-19/h1-3,6-9,12-15,20H,4-5,10-11H2,(H2,28,29,30,32,34)/t20-,25-/m1/s1
InChIKeyXKGRXMAYCOORJS-CJFMBICVSA-N
MW476.94 g/mol
LogP5.10
Rot. Bonds7

About cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide (PubChem CID 165132462) has the molecular formula C25H22ClFN6O and a molecular weight of 476.94 g/mol. Its IUPAC name is cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide
PubChem CID165132462
Molecular FormulaC25H22ClFN6O
Molecular Weight476.94 g/mol
Exact Mass476.15
IUPAC Namecis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1)[C@@]1(F)C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C25H22ClFN6O/c26-18-3-1-2-16(8-18)20-10-25(20,27)24(34)32-22-9-21(29-14-30-22)28-11-19-13-33-12-17(15-4-5-15)6-7-23(33)31-19/h1-3,6-9,12-15,20H,4-5,10-11H2,(H2,28,29,30,32,34)/t20-,25-/m1/s1
InChIKeyXKGRXMAYCOORJS-CJFMBICVSA-N
XLogP5.10
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide (CID 165132462) is cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide is O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1)[C@@]1(F)C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide?
The InChIKey is XKGRXMAYCOORJS-CJFMBICVSA-N. The full InChI is InChI=1S/C25H22ClFN6O/c26-18-3-1-2-16(8-18)20-10-25(20,27)24(34)32-22-9-21(29-14-30-22)28-11-19-13-33-12-17(15-4-5-15)6-7-23(33)31-19/h1-3,6-9,12-15,20H,4-5,10-11H2,(H2,28,29,30,32,34)/t20-,25-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide?
cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 165132462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).