N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C23H22BrN5O2 — CID 138560660

IUPACN-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)c2cncc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C23H22BrN5O2/c1-13-12-29(23(31)15-8-16(24)11-25-10-15)7-5-17(13)19-9-20(28-22(30)14-2-3-14)27-21-18(19)4-6-26-21/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H2,26,27,28,30)
InChIKeyTYLXFIGPQCLIQG-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.24
Rot. Bonds4

About N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560660) has the molecular formula C23H22BrN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560660
Molecular FormulaC23H22BrN5O2
Molecular Weight480.37 g/mol
Exact Mass479.10
IUPAC NameN-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)c2cncc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C23H22BrN5O2/c1-13-12-29(23(31)15-8-16(24)11-25-10-15)7-5-17(13)19-9-20(28-22(30)14-2-3-14)27-21-18(19)4-6-26-21/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H2,26,27,28,30)
InChIKeyTYLXFIGPQCLIQG-UHFFFAOYSA-N
XLogP4.24
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560660) is N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CC1CN(C(=O)c2cncc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12.
What is the InChIKey of N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is TYLXFIGPQCLIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O2/c1-13-12-29(23(31)15-8-16(24)11-25-10-15)7-5-17(13)19-9-20(28-22(30)14-2-3-14)27-21-18(19)4-6-26-21/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H2,26,27,28,30).
What are the key properties of N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 480.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-bromopyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).