[4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate

C56H71F6N7O5 — CID 91374168

IUPAC[4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate
SMILESCC1(c2ccc(F)cn2)CCC(NC2CC2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccc(F)cn3)CC2)cc1)C(F)(F)F.OCC1(c2ccc(F)cn2)CCC(NC2CC2)CC1
InChIInChI=1S/C26H29F4N3O4.C15H21FN2O.C15H21FN2/c1-24(36,26(28,29)30)17-4-2-16(3-5-17)22(34)33(19-7-8-19)20-10-12-25(13-11-20,15-37-23(31)35)21-9-6-18(27)14-32-21;16-11-1-4-14(17-9-11)15(10-19)7-5-13(6-8-15)18-12-2-3-12;1-15(14-5-2-11(16)10-17-14)8-6-13(7-9-15)18-12-3-4-12/h2-6,9,14,19-20,36H,7-8,10-13,15H2,1H3,(H2,31,35);1,4,9,12-13,18-19H,2-3,5-8,10H2;2,5,10,12-13,18H,3-4,6-9H2,1H3/t20?,24-,25?;;/m0../s1
InChIKeyPCMPZZHOIHONBR-HCFBBCQJSA-N
MW1036.22 g/mol
LogP9.89
Rot. Bonds14

About [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate

[4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate (PubChem CID 91374168) has the molecular formula C56H71F6N7O5 and a molecular weight of 1036.22 g/mol. Its IUPAC name is [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate.

Molecular Properties

Compound Name[4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate
PubChem CID91374168
Molecular FormulaC56H71F6N7O5
Molecular Weight1036.22 g/mol
Exact Mass1035.54
IUPAC Name[4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate
SMILESCC1(c2ccc(F)cn2)CCC(NC2CC2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccc(F)cn3)CC2)cc1)C(F)(F)F.OCC1(c2ccc(F)cn2)CCC(NC2CC2)CC1
InChIInChI=1S/C26H29F4N3O4.C15H21FN2O.C15H21FN2/c1-24(36,26(28,29)30)17-4-2-16(3-5-17)22(34)33(19-7-8-19)20-10-12-25(13-11-20,15-37-23(31)35)21-9-6-18(27)14-32-21;16-11-1-4-14(17-9-11)15(10-19)7-5-13(6-8-15)18-12-2-3-12;1-15(14-5-2-11(16)10-17-14)8-6-13(7-9-15)18-12-3-4-12/h2-6,9,14,19-20,36H,7-8,10-13,15H2,1H3,(H2,31,35);1,4,9,12-13,18-19H,2-3,5-8,10H2;2,5,10,12-13,18H,3-4,6-9H2,1H3/t20?,24-,25?;;/m0../s1
InChIKeyPCMPZZHOIHONBR-HCFBBCQJSA-N
XLogP9.89
TPSA175.82 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.22
LogP ≤ 59.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate with MolForge

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Related Compounds

((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamido)-1-(5-fluoropyridin-2-yl)cyclohexyl)methyl carbamate
CID 53317315
((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamido)-1-(pyridin-2-yl)cyclohexyl)methyl carbamate
CID 53323883
2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate
CID 59030553
N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59030578
methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl]carbamate
CID 59030581
[4-[cyclopropyl-[4-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate
CID 59030595
[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyrazin-2-ylcyclohexyl]methyl carbamate
CID 59030602
methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoropyridin-2-yl)cyclohexyl]methyl]carbamate
CID 59030641
[4-[Cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate
CID 59030652
N-cyclopropyl-N-[4-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59030663
methyl N-[(4S)-4-(3-fluoro-2-quinolin-3-ylphenyl)-4-hydroxy-4-[(3R)-1-[4-(methylaminomethyl)benzoyl]piperidin-3-yl]butyl]carbamate
CID 59404616
[(2S)-5-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-2-ethyl-2-(5-fluoro-2-pyridinyl)hexyl] carbamate
CID 68166710

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate?
The IUPAC name of [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate (CID 91374168) is [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate.
What is the SMILES notation for [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate?
The canonical SMILES for [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate is CC1(c2ccc(F)cn2)CCC(NC2CC2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccc(F)cn3)CC2)cc1)C(F)(F)F.OCC1(c2ccc(F)cn2)CCC(NC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate?
The InChIKey is PCMPZZHOIHONBR-HCFBBCQJSA-N. The full InChI is InChI=1S/C26H29F4N3O4.C15H21FN2O.C15H21FN2/c1-24(36,26(28,29)30)17-4-2-16(3-5-17)22(34)33(19-7-8-19)20-10-12-25(13-11-20,15-37-23(31)35)21-9-6-18(27)14-32-21;16-11-1-4-14(17-9-11)15(10-19)7-5-13(6-8-15)18-12-2-3-12;1-15(14-5-2-11(16)10-17-14)8-6-13(7-9-15)18-12-3-4-12/h2-6,9,14,19-20,36H,7-8,10-13,15H2,1H3,(H2,31,35);1,4,9,12-13,18-19H,2-3,5-8,10H2;2,5,10,12-13,18H,3-4,6-9H2,1H3/t20?,24-,25?;;/m0../s1.
What are the key properties of [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate?
[4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate has a molecular weight of 1036.22 g/mol, XLogP of 9.89, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate is sourced from PubChem (CID 91374168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).