9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one

C21H27N5O2 — CID 131669885

IUPAC9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESCn1cc(CN2CC(c3cccnc3)C3(C2)OCCN(CC2CC2)C3=O)cn1
InChIInChI=1S/C21H27N5O2/c1-24-11-17(9-23-24)12-25-14-19(18-3-2-6-22-10-18)21(15-25)20(27)26(7-8-28-21)13-16-4-5-16/h2-3,6,9-11,16,19H,4-5,7-8,12-15H2,1H3
InChIKeyWBZWHEHJNBDGNE-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.42
Rot. Bonds5

About 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one

9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one (PubChem CID 131669885) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one
PubChem CID131669885
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESCn1cc(CN2CC(c3cccnc3)C3(C2)OCCN(CC2CC2)C3=O)cn1
InChIInChI=1S/C21H27N5O2/c1-24-11-17(9-23-24)12-25-14-19(18-3-2-6-22-10-18)21(15-25)20(27)26(7-8-28-21)13-16-4-5-16/h2-3,6,9-11,16,19H,4-5,7-8,12-15H2,1H3
InChIKeyWBZWHEHJNBDGNE-UHFFFAOYSA-N
XLogP1.42
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131669889
9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131672435
4-pyridin-3-yl-2-(pyridin-3-ylmethyl)-9-(pyridin-4-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 155834498
2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131669901
2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131672466
(5R,9R)-9-methyl-7-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471750
(4S,5S)-9-[(1-methylpyrazol-4-yl)methyl]-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97375156
9-[(4-fluorophenyl)methyl]-2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one;2,2,2-trifluoroacetic acid
CID 155863406
(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469527
7-[(1-methylpyrazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669859
[8-[(1-methylpyrazol-4-yl)methyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 172884584
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one (CID 131669885) is 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one is Cn1cc(CN2CC(c3cccnc3)C3(C2)OCCN(CC2CC2)C3=O)cn1.
What is the InChIKey of 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The InChIKey is WBZWHEHJNBDGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-24-11-17(9-23-24)12-25-14-19(18-3-2-6-22-10-18)21(15-25)20(27)26(7-8-28-21)13-16-4-5-16/h2-3,6,9-11,16,19H,4-5,7-8,12-15H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one has a molecular weight of 381.48 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 131669885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).