(3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C19H25N5O — CID 143749392

IUPAC(3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC1=C(C(=O)N2CCC(N3CCCC3)CC2)C(c2cncnc2)=NC1
InChIInChI=1S/C19H25N5O/c1-14-10-22-18(15-11-20-13-21-12-15)17(14)19(25)24-8-4-16(5-9-24)23-6-2-3-7-23/h11-13,16H,2-10H2,1H3
InChIKeyVTVFZZYVYWXPIS-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.68
Rot. Bonds3

About (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 143749392) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID143749392
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC1=C(C(=O)N2CCC(N3CCCC3)CC2)C(c2cncnc2)=NC1
InChIInChI=1S/C19H25N5O/c1-14-10-22-18(15-11-20-13-21-12-15)17(14)19(25)24-8-4-16(5-9-24)23-6-2-3-7-23/h11-13,16H,2-10H2,1H3
InChIKeyVTVFZZYVYWXPIS-UHFFFAOYSA-N
XLogP1.68
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

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CID 71841618
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(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
[4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 53168111
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 143749392) is (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CC1=C(C(=O)N2CCC(N3CCCC3)CC2)C(c2cncnc2)=NC1.
What is the InChIKey of (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is VTVFZZYVYWXPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-10-22-18(15-11-20-13-21-12-15)17(14)19(25)24-8-4-16(5-9-24)23-6-2-3-7-23/h11-13,16H,2-10H2,1H3.
What are the key properties of (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 143749392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).