[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate

C41H56F3N7O3 — CID 158145501

IUPAC[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCC(c1ccc(F)cn1)C1CCN(C(=O)C2(F)CCN(Cc3ccnc(N)c3)CC2)CC1.CC(c1ccc(F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H31F2N5O.C17H25FN2O2/c1-17(21-3-2-20(25)15-29-21)19-5-10-31(11-6-19)23(32)24(26)7-12-30(13-8-24)16-18-4-9-28-22(27)14-18;1-12(15-6-5-14(18)11-19-15)13-7-9-20(10-8-13)16(21)22-17(2,3)4/h2-4,9,14-15,17,19H,5-8,10-13,16H2,1H3,(H2,27,28);5-6,11-13H,7-10H2,1-4H3
InChIKeyFULSTCPHASOOMG-UHFFFAOYSA-N
MW751.94 g/mol
LogP7.52
Rot. Bonds7

About [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate

[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate (PubChem CID 158145501) has the molecular formula C41H56F3N7O3 and a molecular weight of 751.94 g/mol. Its IUPAC name is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate
PubChem CID158145501
Molecular FormulaC41H56F3N7O3
Molecular Weight751.94 g/mol
Exact Mass751.44
IUPAC Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCC(c1ccc(F)cn1)C1CCN(C(=O)C2(F)CCN(Cc3ccnc(N)c3)CC2)CC1.CC(c1ccc(F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H31F2N5O.C17H25FN2O2/c1-17(21-3-2-20(25)15-29-21)19-5-10-31(11-6-19)23(32)24(26)7-12-30(13-8-24)16-18-4-9-28-22(27)14-18;1-12(15-6-5-14(18)11-19-15)13-7-9-20(10-8-13)16(21)22-17(2,3)4/h2-4,9,14-15,17,19H,5-8,10-13,16H2,1H3,(H2,27,28);5-6,11-13H,7-10H2,1-4H3
InChIKeyFULSTCPHASOOMG-UHFFFAOYSA-N
XLogP7.52
TPSA117.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.94
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
1-acetyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
CID 66836906
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 119099002
1-[4-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 119099014
US10251893, Cpd 194
CID 46927363
tert-butyl N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]carbamate
CID 119098905
Tert-butyl 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 119098907
1-[1-[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119098919
1-[3-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 119098936
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119098941
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 119098993
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 119099009

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate (CID 158145501) is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate is CC(c1ccc(F)cn1)C1CCN(C(=O)C2(F)CCN(Cc3ccnc(N)c3)CC2)CC1.CC(c1ccc(F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate?
The InChIKey is FULSTCPHASOOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N5O.C17H25FN2O2/c1-17(21-3-2-20(25)15-29-21)19-5-10-31(11-6-19)23(32)24(26)7-12-30(13-8-24)16-18-4-9-28-22(27)14-18;1-12(15-6-5-14(18)11-19-15)13-7-9-20(10-8-13)16(21)22-17(2,3)4/h2-4,9,14-15,17,19H,5-8,10-13,16H2,1H3,(H2,27,28);5-6,11-13H,7-10H2,1-4H3.
What are the key properties of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate?
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate has a molecular weight of 751.94 g/mol, XLogP of 7.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-1-yl]methanone;tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 158145501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).