6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C17H22FN7O — CID 71626895

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F
InChIInChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1
InChIKeyVYFZIPUVTIMYCJ-NWDGAFQWSA-N
MW359.41 g/mol
LogP1.84
Rot. Bonds5

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626895) has the molecular formula C17H22FN7O and a molecular weight of 359.41 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71626895
Molecular FormulaC17H22FN7O
Molecular Weight359.41 g/mol
Exact Mass359.19
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F
InChIInChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1
InChIKeyVYFZIPUVTIMYCJ-NWDGAFQWSA-N
XLogP1.84
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626895) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is VYFZIPUVTIMYCJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).