1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C22H25N5O2 — CID 131656588

IUPAC1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1cc(N2CCCC3(CCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)ncn1
InChIInChI=1S/C22H25N5O2/c1-29-20-12-19(24-15-25-20)26-9-2-6-22(13-26)7-10-27(14-22)21(28)17-3-4-18-16(11-17)5-8-23-18/h3-5,8,11-12,15,23H,2,6-7,9-10,13-14H2,1H3
InChIKeyDKRDAOZTIVNILC-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.10
Rot. Bonds3

About 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 131656588) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID131656588
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1cc(N2CCCC3(CCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)ncn1
InChIInChI=1S/C22H25N5O2/c1-29-20-12-19(24-15-25-20)26-9-2-6-22(13-26)7-10-27(14-22)21(28)17-3-4-18-16(11-17)5-8-23-18/h3-5,8,11-12,15,23H,2,6-7,9-10,13-14H2,1H3
InChIKeyDKRDAOZTIVNILC-UHFFFAOYSA-N
XLogP3.10
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
CID 146098508
1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97415473
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483665
[7-(2-hydroxyethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(1H-indol-5-yl)methanone
CID 167945951
4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one
CID 155877681
(4-methoxyphenyl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235378
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
5-(6-methoxypyrimidin-4-yl)-1H-indole
CID 56711571
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 91767064

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 131656588) is 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is COc1cc(N2CCCC3(CCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)ncn1.
What is the InChIKey of 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is DKRDAOZTIVNILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-20-12-19(24-15-25-20)26-9-2-6-22(13-26)7-10-27(14-22)21(28)17-3-4-18-16(11-17)5-8-23-18/h3-5,8,11-12,15,23H,2,6-7,9-10,13-14H2,1H3.
What are the key properties of 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 131656588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).