5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide

C24H26N6O3 — CID 148605981

IUPAC5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2)c1
InChIInChI=1S/C24H26N6O3/c25-22(26)14-20(31)7-6-17-3-1-4-18(13-17)19-15-27-24(28-16-19)30-10-8-29(9-11-30)23(32)21-5-2-12-33-21/h1-5,12-13,15-16H,6-11,14H2,(H3,25,26)
InChIKeyNDKKCUJIAQBKOU-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.53
Rot. Bonds8

About 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide

5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide (PubChem CID 148605981) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide.

Molecular Properties

Compound Name5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
PubChem CID148605981
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2)c1
InChIInChI=1S/C24H26N6O3/c25-22(26)14-20(31)7-6-17-3-1-4-18(13-17)19-15-27-24(28-16-19)30-10-8-29(9-11-30)23(32)21-5-2-12-33-21/h1-5,12-13,15-16H,6-11,14H2,(H3,25,26)
InChIKeyNDKKCUJIAQBKOU-UHFFFAOYSA-N
XLogP2.53
TPSA129.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide
CID 152789796
3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide
CID 161222794
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 86778300
4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 53143954
4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid
CID 75539457
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262168
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287
[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112932981
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(1,3-oxazol-4-yl)propan-1-one
CID 110679021
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109310503

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide?
The IUPAC name of 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide (CID 148605981) is 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide.
What is the SMILES notation for 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide?
The canonical SMILES for 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide is [H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2)c1.
What is the InChIKey of 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide?
The InChIKey is NDKKCUJIAQBKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c25-22(26)14-20(31)7-6-17-3-1-4-18(13-17)19-15-27-24(28-16-19)30-10-8-29(9-11-30)23(32)21-5-2-12-33-21/h1-5,12-13,15-16H,6-11,14H2,(H3,25,26).
What are the key properties of 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide?
5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide has a molecular weight of 446.51 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide is sourced from PubChem (CID 148605981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).