[1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid

C26H28F3N9O4 — CID 118873290

IUPAC[1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid
SMILESNc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(NC(=O)O)CC1
InChIInChI=1S/C26H28F3N9O4/c27-26(28,29)16-3-4-19(38-10-12-42-13-11-38)35-20(16)17-14-32-22(30)21(34-17)24(39)36-23-18(2-1-7-31-23)37-8-5-15(6-9-37)33-25(40)41/h1-4,7,14-15,33H,5-6,8-13H2,(H2,30,32)(H,40,41)(H,31,36,39)
InChIKeyGRAOTZMISZQPAD-UHFFFAOYSA-N
MW587.56 g/mol
LogP2.86
Rot. Bonds6

About [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid

[1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid (PubChem CID 118873290) has the molecular formula C26H28F3N9O4 and a molecular weight of 587.56 g/mol. Its IUPAC name is [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid
PubChem CID118873290
Molecular FormulaC26H28F3N9O4
Molecular Weight587.56 g/mol
Exact Mass587.22
IUPAC Name[1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid
SMILESNc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(NC(=O)O)CC1
InChIInChI=1S/C26H28F3N9O4/c27-26(28,29)16-3-4-19(38-10-12-42-13-11-38)35-20(16)17-14-32-22(30)21(34-17)24(39)36-23-18(2-1-7-31-23)37-8-5-15(6-9-37)33-25(40)41/h1-4,7,14-15,33H,5-6,8-13H2,(H2,30,32)(H,40,41)(H,31,36,39)
InChIKeyGRAOTZMISZQPAD-UHFFFAOYSA-N
XLogP2.86
TPSA171.72 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.56
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid (CID 118873290) is [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid is Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(NC(=O)O)CC1.
What is the InChIKey of [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid?
The InChIKey is GRAOTZMISZQPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N9O4/c27-26(28,29)16-3-4-19(38-10-12-42-13-11-38)35-20(16)17-14-32-22(30)21(34-17)24(39)36-23-18(2-1-7-31-23)37-8-5-15(6-9-37)33-25(40)41/h1-4,7,14-15,33H,5-6,8-13H2,(H2,30,32)(H,40,41)(H,31,36,39).
What are the key properties of [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid?
[1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid has a molecular weight of 587.56 g/mol, XLogP of 2.86, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carbonyl]amino]-3-pyridinyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 118873290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).