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

C23H22FN5O2 — CID 138560764

IUPACN-[4-[1-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)c2ccncc2F)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C23H22FN5O2/c1-13-12-29(23(31)17-4-7-25-11-19(17)24)9-6-15(13)18-10-20(28-22(30)14-2-3-14)27-21-16(18)5-8-26-21/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H2,26,27,28,30)
InChIKeySJYGEINAJKXPPP-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.62
Rot. Bonds4

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

N-[4-[1-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560764) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[4-[1-(3-fluoropyridine-4-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-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560764
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-[4-[1-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)c2ccncc2F)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C23H22FN5O2/c1-13-12-29(23(31)17-4-7-25-11-19(17)24)9-6-15(13)18-10-20(28-22(30)14-2-3-14)27-21-16(18)5-8-26-21/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H2,26,27,28,30)
InChIKeySJYGEINAJKXPPP-UHFFFAOYSA-N
XLogP3.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(3,5-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560708
N-[4-[1-(3-acetylbenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561483
N-[4-[(3R)-1-(2-cyanoacetyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561019
N-[4-[(3S)-1-(2-isocyano-3-methylbut-2-enoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 159592920
N-[4-[(3S)-1-[2-(1-cyanocyclopropyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561705
cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 161220367
N-[4-[1-(3-acetylbenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 138572184
N-cyclopropyl-N-[4-[1-(2,4-dimethoxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633479
N-[4-[1-(2-aminopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633637
N-[(E)-5-[6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]oct-5-en-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 138572580
N-[4-[1-[2-(1-cyanocyclopropyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 138572234
N-[4-[1-(2-cyanoacetyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633693

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluoropyridine-4-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-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560764) is N-[4-[1-(3-fluoropyridine-4-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-(3-fluoropyridine-4-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-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CC1CN(C(=O)c2ccncc2F)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12.
What is the InChIKey of N-[4-[1-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is SJYGEINAJKXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-13-12-29(23(31)17-4-7-25-11-19(17)24)9-6-15(13)18-10-20(28-22(30)14-2-3-14)27-21-16(18)5-8-26-21/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H2,26,27,28,30).
What are the key properties of N-[4-[1-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-fluoropyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).