pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

C17H20N6O2 — CID 97385043

IUPACpyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESO=C(c1ccnnc1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N6O2/c24-15(14-2-6-20-21-10-14)22-8-9-25-13-17(11-22)3-7-23(12-17)16-18-4-1-5-19-16/h1-2,4-6,10H,3,7-9,11-13H2/t17-/m1/s1
InChIKeyUDPKRZGHPGWLDC-QGZVFWFLSA-N
MW340.39 g/mol
LogP0.64
Rot. Bonds2

About pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (PubChem CID 97385043) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.

Molecular Properties

Compound Namepyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
PubChem CID97385043
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Namepyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESO=C(c1ccnnc1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N6O2/c24-15(14-2-6-20-21-10-14)22-8-9-25-13-17(11-22)3-7-23(12-17)16-18-4-1-5-19-16/h1-2,4-6,10H,3,7-9,11-13H2/t17-/m1/s1
InChIKeyUDPKRZGHPGWLDC-QGZVFWFLSA-N
XLogP0.64
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
pyridin-4-yl-(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone
CID 131640073
[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398115
pyridin-2-yl-[(5R)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472293
(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone
CID 131642549
3H-benzimidazol-5-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 131654404
3H-benzimidazol-5-yl-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398087
cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134074141
pyridin-4-yl-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 134070473
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
morpholin-4-yl-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97449674

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The IUPAC name of pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (CID 97385043) is pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.
What is the SMILES notation for pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The canonical SMILES for pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is O=C(c1ccnnc1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The InChIKey is UDPKRZGHPGWLDC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15(14-2-6-20-21-10-14)22-8-9-25-13-17(11-22)3-7-23(12-17)16-18-4-1-5-19-16/h1-2,4-6,10H,3,7-9,11-13H2/t17-/m1/s1.
What are the key properties of pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is sourced from PubChem (CID 97385043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).