1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea

C20H22N6O — CID 133397025

IUPAC1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea
SMILESO=C(NCC1CCCCN1c1ccc2nccnc2n1)Nc1ccccc1
InChIInChI=1S/C20H22N6O/c27-20(24-15-6-2-1-3-7-15)23-14-16-8-4-5-13-26(16)18-10-9-17-19(25-18)22-12-11-21-17/h1-3,6-7,9-12,16H,4-5,8,13-14H2,(H2,23,24,27)
InChIKeyDQZDCIWUIOOVDK-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.21
Rot. Bonds4

About 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea

1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea (PubChem CID 133397025) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea
PubChem CID133397025
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea
SMILESO=C(NCC1CCCCN1c1ccc2nccnc2n1)Nc1ccccc1
InChIInChI=1S/C20H22N6O/c27-20(24-15-6-2-1-3-7-15)23-14-16-8-4-5-13-26(16)18-10-9-17-19(25-18)22-12-11-21-17/h1-3,6-7,9-12,16H,4-5,8,13-14H2,(H2,23,24,27)
InChIKeyDQZDCIWUIOOVDK-UHFFFAOYSA-N
XLogP3.21
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea with MolForge

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Related Compounds

1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397011
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
CID 90619144
1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
CID 133396975
3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
CID 120902751
1-[[1-(5-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397048
N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626345
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-(4-fluorophenyl)urea
CID 90619148
3-methyl-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-2-carboxylic acid
CID 107070403
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
1-[[1-[4-(methylamino)butanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728803
N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626041

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea?
The IUPAC name of 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea (CID 133397025) is 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea.
What is the SMILES notation for 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea?
The canonical SMILES for 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea is O=C(NCC1CCCCN1c1ccc2nccnc2n1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea?
The InChIKey is DQZDCIWUIOOVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(24-15-6-2-1-3-7-15)23-14-16-8-4-5-13-26(16)18-10-9-17-19(25-18)22-12-11-21-17/h1-3,6-7,9-12,16H,4-5,8,13-14H2,(H2,23,24,27).
What are the key properties of 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea?
1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea has a molecular weight of 362.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea is sourced from PubChem (CID 133397025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).