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

C23H24BrN5O — CID 142752278

IUPACN-[4-[1-[(5-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(Cc2cncc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C23H24BrN5O/c1-14-12-29(13-15-8-17(24)11-25-10-15)7-5-18(14)20-9-21(28-23(30)16-2-3-16)27-22-19(20)4-6-26-22/h4-6,8-11,14,16H,2-3,7,12-13H2,1H3,(H2,26,27,28,30)
InChIKeySZFMXKCBOKDXJP-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.60
Rot. Bonds5

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

N-[4-[1-[(5-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 142752278) has the molecular formula C23H24BrN5O and a molecular weight of 466.38 g/mol. Its IUPAC name is N-[4-[1-[(5-bromo-3-pyridinyl)methyl]-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-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID142752278
Molecular FormulaC23H24BrN5O
Molecular Weight466.38 g/mol
Exact Mass465.12
IUPAC NameN-[4-[1-[(5-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(Cc2cncc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C23H24BrN5O/c1-14-12-29(13-15-8-17(24)11-25-10-15)7-5-18(14)20-9-21(28-23(30)16-2-3-16)27-22-19(20)4-6-26-22/h4-6,8-11,14,16H,2-3,7,12-13H2,1H3,(H2,26,27,28,30)
InChIKeySZFMXKCBOKDXJP-UHFFFAOYSA-N
XLogP4.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.60
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-bromo-3-pyridinyl)methyl]-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-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 142752278) is N-[4-[1-[(5-bromo-3-pyridinyl)methyl]-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-bromo-3-pyridinyl)methyl]-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-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CC1CN(Cc2cncc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12.
What is the InChIKey of N-[4-[1-[(5-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is SZFMXKCBOKDXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O/c1-14-12-29(13-15-8-17(24)11-25-10-15)7-5-18(14)20-9-21(28-23(30)16-2-3-16)27-22-19(20)4-6-26-22/h4-6,8-11,14,16H,2-3,7,12-13H2,1H3,(H2,26,27,28,30).
What are the key properties of N-[4-[1-[(5-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-[(5-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 466.38 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(5-bromo-3-pyridinyl)methyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 142752278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).