N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C25H26N6O3 — CID 137651884

IUPACN-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(C1CCN(CC1)C2=NC=NC(=C2)C3=CC=CO3)C(=O)C4=CN(C(=O)C5=C4C=CN5)CC=C
InChIInChI=1S/C25H26N6O3/c1-3-10-31-15-19(18-6-9-26-23(18)25(31)33)24(32)29(2)17-7-11-30(12-8-17)22-14-20(27-16-28-22)21-5-4-13-34-21/h3-6,9,13-17,26H,1,7-8,10-12H2,2H3
InChIKeyDWGXWHDMMGTNIT-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.20
Rot. Bonds6

About N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 137651884) has the molecular formula C25H26N6O3 and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID137651884
Molecular FormulaC25H26N6O3
Molecular Weight458.50 g/mol
Exact Mass458.21
IUPAC NameN-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(C1CCN(CC1)C2=NC=NC(=C2)C3=CC=CO3)C(=O)C4=CN(C(=O)C5=C4C=CN5)CC=C
InChIInChI=1S/C25H26N6O3/c1-3-10-31-15-19(18-6-9-26-23(18)25(31)33)24(32)29(2)17-7-11-30(12-8-17)22-14-20(27-16-28-22)21-5-4-13-34-21/h3-6,9,13-17,26H,1,7-8,10-12H2,2H3
InChIKeyDWGXWHDMMGTNIT-UHFFFAOYSA-N
XLogP2.20
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity810

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide with MolForge

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Related Compounds

Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 118
CID 44520982
Dipyridodiazepinone deriv. 39
CID 463559
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 117
CID 11381773
Pyrimidine-4-carboxamide, 25
CID 11426423
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975
4-Pyrimidinecarboxamide,2-amino-6-(5-methyl-2-furanyl)-n-[(6-methyl-2-pyridinyl)methyl]-
CID 44520976

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 137651884) is N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CN(C1CCN(CC1)C2=NC=NC(=C2)C3=CC=CO3)C(=O)C4=CN(C(=O)C5=C4C=CN5)CC=C.
What is the InChIKey of N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is DWGXWHDMMGTNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-3-10-31-15-19(18-6-9-26-23(18)25(31)33)24(32)29(2)17-7-11-30(12-8-17)22-14-20(27-16-28-22)21-5-4-13-34-21/h3-6,9,13-17,26H,1,7-8,10-12H2,2H3.
What are the key properties of N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 137651884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).