(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one

C18H23N5O — CID 97412333

IUPAC(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cccnc1N1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1
InChIInChI=1S/C18H23N5O/c1-14-5-3-8-19-16(14)22-9-4-6-18(13-22)7-10-23(17(18)24)15-11-20-21(2)12-15/h3,5,8,11-12H,4,6-7,9-10,13H2,1-2H3/t18-/m1/s1
InChIKeyDELLWHWCFOUNIP-GOSISDBHSA-N
MW325.42 g/mol
LogP2.15
Rot. Bonds2

About (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97412333) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97412333
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cccnc1N1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1
InChIInChI=1S/C18H23N5O/c1-14-5-3-8-19-16(14)22-9-4-6-18(13-22)7-10-23(17(18)24)15-11-20-21(2)12-15/h3,5,8,11-12H,4,6-7,9-10,13H2,1-2H3/t18-/m1/s1
InChIKeyDELLWHWCFOUNIP-GOSISDBHSA-N
XLogP2.15
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97412333) is (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is Cc1cccnc1N1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1.
What is the InChIKey of (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is DELLWHWCFOUNIP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-5-3-8-19-16(14)22-9-4-6-18(13-22)7-10-23(17(18)24)15-11-20-21(2)12-15/h3,5,8,11-12H,4,6-7,9-10,13H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 325.42 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97412333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).