trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

C20H24F3N5O2 — CID 67291164

IUPACtrans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESCC(C)Nc1cc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2cnc(OCC(F)(F)F)cn2)ccn1
InChIInChI=1S/C20H24F3N5O2/c1-11(2)27-17-6-13(4-5-24-17)14-7-15(14)19(29)28-12(3)16-8-26-18(9-25-16)30-10-20(21,22)23/h4-6,8-9,11-12,14-15H,7,10H2,1-3H3,(H,24,27)(H,28,29)/t12-,14+,15-/m1/s1
InChIKeyXODPKUPKJRYUTL-VHDGCEQUSA-N
MW423.44 g/mol
LogP3.61
Rot. Bonds8

About trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 67291164) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID67291164
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Nametrans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESCC(C)Nc1cc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2cnc(OCC(F)(F)F)cn2)ccn1
InChIInChI=1S/C20H24F3N5O2/c1-11(2)27-17-6-13(4-5-24-17)14-7-15(14)19(29)28-12(3)16-8-26-18(9-25-16)30-10-20(21,22)23/h4-6,8-9,11-12,14-15H,7,10H2,1-3H3,(H,24,27)(H,28,29)/t12-,14+,15-/m1/s1
InChIKeyXODPKUPKJRYUTL-VHDGCEQUSA-N
XLogP3.61
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (CID 67291164) is trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is CC(C)Nc1cc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2cnc(OCC(F)(F)F)cn2)ccn1.
What is the InChIKey of trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is XODPKUPKJRYUTL-VHDGCEQUSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-11(2)27-17-6-13(4-5-24-17)14-7-15(14)19(29)28-12(3)16-8-26-18(9-25-16)30-10-20(21,22)23/h4-6,8-9,11-12,14-15H,7,10H2,1-3H3,(H,24,27)(H,28,29)/t12-,14+,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67291164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).