3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide

C19H25F2N7O — CID 145201126

IUPAC3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C19H25F2N7O/c20-19(21)6-4-14(5-7-19)28-12-13(10-24-28)25-18-16(17(22)29)23-11-15(26-18)27-8-2-1-3-9-27/h10-12,14H,1-9H2,(H2,22,29)(H,25,26)
InChIKeyVIZWJBKGAYCXPM-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.26
Rot. Bonds5

About 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide

3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 145201126) has the molecular formula C19H25F2N7O and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID145201126
Molecular FormulaC19H25F2N7O
Molecular Weight405.45 g/mol
Exact Mass405.21
IUPAC Name3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C19H25F2N7O/c20-19(21)6-4-14(5-7-19)28-12-13(10-24-28)25-18-16(17(22)29)23-11-15(26-18)27-8-2-1-3-9-27/h10-12,14H,1-9H2,(H2,22,29)(H,25,26)
InChIKeyVIZWJBKGAYCXPM-UHFFFAOYSA-N
XLogP3.26
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide
CID 53482433
3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide
CID 53482434
US9656988, Example 217
CID 118114664
US9656988, Example 220
CID 118114721
US9656988, Example 219
CID 118114892
US9656988, Example 216
CID 118114914
US9656988, Example 218
CID 118115761
(3-Aminopyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 53597803
5-chloro-6-ethyl-3-({1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-4-yl}amino)pyrazine-2-carboxamide
CID 117667218
5-Chloro-3-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]-6-ethylpyrazine-2-carboxamide
CID 117675751
3-[[1-[(4,4-Difluorocyclohexyl)methyl]pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 156146376
3-[[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide
CID 171063544

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide (CID 145201126) is 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide is NC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CCC(F)(F)CC2)c1.
What is the InChIKey of 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is VIZWJBKGAYCXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N7O/c20-19(21)6-4-14(5-7-19)28-12-13(10-24-28)25-18-16(17(22)29)23-11-15(26-18)27-8-2-1-3-9-27/h10-12,14H,1-9H2,(H2,22,29)(H,25,26).
What are the key properties of 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 145201126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).