N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide

C22H28F3N7O — CID 177065631

IUPACN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide
SMILESCC(F)CNc1nn(C)cc1C(=O)NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1
InChIInChI=1S/C22H28F3N7O/c1-13(23)10-26-21-16(11-31(2)30-21)22(33)28-15-8-6-14(7-9-15)27-18-4-3-5-19-29-17(20(24)25)12-32(18)19/h3-5,11-15,20,27H,6-10H2,1-2H3,(H,26,30)(H,28,33)
InChIKeyJFRMIIBVNNABDE-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.93
Rot. Bonds8

About N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide

N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide (PubChem CID 177065631) has the molecular formula C22H28F3N7O and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide
PubChem CID177065631
Molecular FormulaC22H28F3N7O
Molecular Weight463.51 g/mol
Exact Mass463.23
IUPAC NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide
SMILESCC(F)CNc1nn(C)cc1C(=O)NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1
InChIInChI=1S/C22H28F3N7O/c1-13(23)10-26-21-16(11-31(2)30-21)22(33)28-15-8-6-14(7-9-15)27-18-4-3-5-19-29-17(20(24)25)12-32(18)19/h3-5,11-15,20,27H,6-10H2,1-2H3,(H,26,30)(H,28,33)
InChIKeyJFRMIIBVNNABDE-UHFFFAOYSA-N
XLogP3.93
TPSA88.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide (CID 177065631) is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide is CC(F)CNc1nn(C)cc1C(=O)NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1.
What is the InChIKey of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide?
The InChIKey is JFRMIIBVNNABDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N7O/c1-13(23)10-26-21-16(11-31(2)30-21)22(33)28-15-8-6-14(7-9-15)27-18-4-3-5-19-29-17(20(24)25)12-32(18)19/h3-5,11-15,20,27H,6-10H2,1-2H3,(H,26,30)(H,28,33).
What are the key properties of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide?
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 177065631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).