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

C25H29N5O2 — CID 86271791

IUPAC6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)c(C)n1
InChIInChI=1S/C25H29N5O2/c1-15-7-8-18(16(2)27-15)13-26-23-12-24(29-30(3)25(23)31)32-14-19-11-20(19)22-10-9-17-5-4-6-21(17)28-22/h7-10,12,19-20,26H,4-6,11,13-14H2,1-3H3/t19-,20+/m1/s1
InChIKeySKICPCSDIPQKPP-UXHICEINSA-N
MW431.54 g/mol
LogP3.47
Rot. Bonds7

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

6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 86271791) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
PubChem CID86271791
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)c(C)n1
InChIInChI=1S/C25H29N5O2/c1-15-7-8-18(16(2)27-15)13-26-23-12-24(29-30(3)25(23)31)32-14-19-11-20(19)22-10-9-17-5-4-6-21(17)28-22/h7-10,12,19-20,26H,4-6,11,13-14H2,1-3H3/t19-,20+/m1/s1
InChIKeySKICPCSDIPQKPP-UXHICEINSA-N
XLogP3.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-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]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one (CID 86271791) is 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one is Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)c(C)n1.
What is the InChIKey of 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is SKICPCSDIPQKPP-UXHICEINSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-15-7-8-18(16(2)27-15)13-26-23-12-24(29-30(3)25(23)31)32-14-19-11-20(19)22-10-9-17-5-4-6-21(17)28-22/h7-10,12,19-20,26H,4-6,11,13-14H2,1-3H3/t19-,20+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one?
6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 431.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 86271791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).