5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide

C17H21F2N7O2 — CID 123217495

IUPAC5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide
SMILESCOc1cncc(Nc2nc(NC3CCCC(F)(F)C3N)cnc2C(N)=O)c1
InChIInChI=1S/C17H21F2N7O2/c1-28-10-5-9(6-22-7-10)24-16-13(15(21)27)23-8-12(26-16)25-11-3-2-4-17(18,19)14(11)20/h5-8,11,14H,2-4,20H2,1H3,(H2,21,27)(H2,24,25,26)
InChIKeyRSJDMNBZLAPZEA-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.65
Rot. Bonds6

About 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide

5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide (PubChem CID 123217495) has the molecular formula C17H21F2N7O2 and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide
PubChem CID123217495
Molecular FormulaC17H21F2N7O2
Molecular Weight393.40 g/mol
Exact Mass393.17
IUPAC Name5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide
SMILESCOc1cncc(Nc2nc(NC3CCCC(F)(F)C3N)cnc2C(N)=O)c1
InChIInChI=1S/C17H21F2N7O2/c1-28-10-5-9(6-22-7-10)24-16-13(15(21)27)23-8-12(26-16)25-11-3-2-4-17(18,19)14(11)20/h5-8,11,14H,2-4,20H2,1H3,(H2,21,27)(H2,24,25,26)
InChIKeyRSJDMNBZLAPZEA-UHFFFAOYSA-N
XLogP1.65
TPSA141.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547584
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873207
3-amino-N-[3-(4-amino-3-methoxypiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873273
3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873314
6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415257
3-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 16222087
3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873196
3-Amino-N-[3-(4-amino-4-methyl-1-piperidinyl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]-2-pyrazinecarboxamide
CID 118873249
3-amino-N-[3-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873266
3-amino-N-[3-[4-amino-4-(ethoxymethyl)piperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873270
3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873291
6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415234

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide (CID 123217495) is 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide is COc1cncc(Nc2nc(NC3CCCC(F)(F)C3N)cnc2C(N)=O)c1.
What is the InChIKey of 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide?
The InChIKey is RSJDMNBZLAPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N7O2/c1-28-10-5-9(6-22-7-10)24-16-13(15(21)27)23-8-12(26-16)25-11-3-2-4-17(18,19)14(11)20/h5-8,11,14H,2-4,20H2,1H3,(H2,21,27)(H2,24,25,26).
What are the key properties of 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide?
5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 123217495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).