(5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane

C20H29N5O — CID 97483387

IUPAC(5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C20H29N5O/c1-23-12-18(13-26-14-19-5-3-4-7-21-19)20(15-23)6-8-25(16-20)11-17-9-22-24(2)10-17/h3-5,7,9-10,18H,6,8,11-16H2,1-2H3/t18-,20+/m0/s1
InChIKeyRYYRSCRIXIECMH-AZUAARDMSA-N
MW355.49 g/mol
LogP1.79
Rot. Bonds6

About (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane

(5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 97483387) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
PubChem CID97483387
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C20H29N5O/c1-23-12-18(13-26-14-19-5-3-4-7-21-19)20(15-23)6-8-25(16-20)11-17-9-22-24(2)10-17/h3-5,7,9-10,18H,6,8,11-16H2,1-2H3/t18-,20+/m0/s1
InChIKeyRYYRSCRIXIECMH-AZUAARDMSA-N
XLogP1.79
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane (CID 97483387) is (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane is CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is RYYRSCRIXIECMH-AZUAARDMSA-N. The full InChI is InChI=1S/C20H29N5O/c1-23-12-18(13-26-14-19-5-3-4-7-21-19)20(15-23)6-8-25(16-20)11-17-9-22-24(2)10-17/h3-5,7,9-10,18H,6,8,11-16H2,1-2H3/t18-,20+/m0/s1.
What are the key properties of (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane?
(5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 355.49 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 97483387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).