6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide

C18H24FN7O2 — CID 71626102

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F
InChIInChI=1S/C18H24FN7O2/c1-9(2)16-10(19)3-4-14(24-16)23-13-7-15(25-26-17(13)18(21)27)22-12-5-6-28-8-11(12)20/h3-4,7,9,11-12H,5-6,8,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1
InChIKeyBUVISXHSPQDMOD-NWDGAFQWSA-N
MW389.44 g/mol
LogP1.50
Rot. Bonds6

About 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626102) has the molecular formula C18H24FN7O2 and a molecular weight of 389.44 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71626102
Molecular FormulaC18H24FN7O2
Molecular Weight389.44 g/mol
Exact Mass389.20
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F
InChIInChI=1S/C18H24FN7O2/c1-9(2)16-10(19)3-4-14(24-16)23-13-7-15(25-26-17(13)18(21)27)22-12-5-6-28-8-11(12)20/h3-4,7,9,11-12H,5-6,8,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1
InChIKeyBUVISXHSPQDMOD-NWDGAFQWSA-N
XLogP1.50
TPSA141.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626102) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is BUVISXHSPQDMOD-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H24FN7O2/c1-9(2)16-10(19)3-4-14(24-16)23-13-7-15(25-26-17(13)18(21)27)22-12-5-6-28-8-11(12)20/h3-4,7,9,11-12H,5-6,8,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-fluoro-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).