6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one

C22H26N6O2 — CID 90454438

IUPAC6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)cn1
InChIInChI=1S/C22H26N6O2/c1-27-12-14(11-24-27)10-23-20-9-21(26-28(2)22(20)29)30-13-16-8-17(16)19-7-6-15-4-3-5-18(15)25-19/h6-7,9,11-12,16-17,23H,3-5,8,10,13H2,1-2H3/t16-,17+/m1/s1
InChIKeyMHPKSLKAZBUJPP-SJORKVTESA-N
MW406.49 g/mol
LogP2.19
Rot. Bonds7

About 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one

6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (PubChem CID 90454438) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
PubChem CID90454438
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)cn1
InChIInChI=1S/C22H26N6O2/c1-27-12-14(11-24-27)10-23-20-9-21(26-28(2)22(20)29)30-13-16-8-17(16)19-7-6-15-4-3-5-18(15)25-19/h6-7,9,11-12,16-17,23H,3-5,8,10,13H2,1-2H3/t16-,17+/m1/s1
InChIKeyMHPKSLKAZBUJPP-SJORKVTESA-N
XLogP2.19
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The IUPAC name of 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (CID 90454438) is 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)cn1.
What is the InChIKey of 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The InChIKey is MHPKSLKAZBUJPP-SJORKVTESA-N. The full InChI is InChI=1S/C22H26N6O2/c1-27-12-14(11-24-27)10-23-20-9-21(26-28(2)22(20)29)30-13-16-8-17(16)19-7-6-15-4-3-5-18(15)25-19/h6-7,9,11-12,16-17,23H,3-5,8,10,13H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one has a molecular weight of 406.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 90454438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).