[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate

C17H22FN7O2 — CID 126612881

IUPAC[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate
SMILESCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2OC(N)=O)ccc1F
InChIInChI=1S/C17H22FN7O2/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)27-17(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
InChIKeyIOGLGCHAOJRHRJ-NWDGAFQWSA-N
MW375.41 g/mol
LogP2.20
Rot. Bonds5

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

[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate (PubChem CID 126612881) has the molecular formula C17H22FN7O2 and a molecular weight of 375.41 g/mol. Its IUPAC name is [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate.

Molecular Properties

Compound Name[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate
PubChem CID126612881
Molecular FormulaC17H22FN7O2
Molecular Weight375.41 g/mol
Exact Mass375.18
IUPAC Name[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate
SMILESCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2OC(N)=O)ccc1F
InChIInChI=1S/C17H22FN7O2/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)27-17(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
InChIKeyIOGLGCHAOJRHRJ-NWDGAFQWSA-N
XLogP2.20
TPSA141.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate with MolForge

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Related Compounds

[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate
CID 126612893
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrrolo[2,3-b]pyridin-6-yl)amino]pyridazine-3-carboxylic acid
CID 126612913
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 71626099
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 90354701
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 56599745
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-pyridin-4-yl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 121332035
6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 129192370
1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
CID 114046704
4-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[(4,6-dimethyl-2-pyridinyl)amino]benzamide
CID 71523126
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084

Frequently Asked Questions

What is the IUPAC name of [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate?
The IUPAC name of [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate (CID 126612881) is [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate.
What is the SMILES notation for [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate?
The canonical SMILES for [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate is Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2OC(N)=O)ccc1F.
What is the InChIKey of [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate?
The InChIKey is IOGLGCHAOJRHRJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H22FN7O2/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)27-17(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]pyridazin-3-yl] carbamate?
[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate has a molecular weight of 375.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 4 hydrogen bond donors, and 8 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]pyridazin-3-yl] carbamate is sourced from PubChem (CID 126612881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).