(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C19H24N4O — CID 3235211

IUPAC(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1
InChIInChI=1S/C19H24N4O/c1-21-11-2-4-17(21)18(24)23-12-3-7-19(15-23)8-13-22(14-19)16-5-9-20-10-6-16/h2,4-6,9-11H,3,7-8,12-15H2,1H3/t19-/m0/s1
InChIKeyREAHWWXSZUQOCQ-IBGZPJMESA-N
MW324.43 g/mol
LogP2.55
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3235211) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3235211
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1
InChIInChI=1S/C19H24N4O/c1-21-11-2-4-17(21)18(24)23-12-3-7-19(15-23)8-13-22(14-19)16-5-9-20-10-6-16/h2,4-6,9-11H,3,7-8,12-15H2,1H3/t19-/m0/s1
InChIKeyREAHWWXSZUQOCQ-IBGZPJMESA-N
XLogP2.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
(1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 131654156
pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235542
(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(1-methylpyrrol-2-yl)methanone
CID 134070386
(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131656576
(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97141105
N-(3-cyanophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233533
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
CID 3235151
[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 97449593
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 70715380

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3235211) is (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is REAHWWXSZUQOCQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O/c1-21-11-2-4-17(21)18(24)23-12-3-7-19(15-23)8-13-22(14-19)16-5-9-20-10-6-16/h2,4-6,9-11H,3,7-8,12-15H2,1H3/t19-/m0/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3235211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).