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

C20H24F3N5O2 — CID 67291170

IUPAC2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESCC(C)Nc1cc(C2CC2C(=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-LRVUVFPRSA-N
MW423.44 g/mol
LogP3.61
Rot. Bonds8

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

2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 67291170) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 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 Name2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID67291170
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESCC(C)Nc1cc(C2CC2C(=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-LRVUVFPRSA-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

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Frequently Asked Questions

What is the IUPAC name of 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 2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (CID 67291170) is 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 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 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(C2CC2C(=O)N[C@H](C)c2cnc(OCC(F)(F)F)cn2)ccn1.
What is the InChIKey of 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-LRVUVFPRSA-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 2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
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 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 67291170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).