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

C26H28N4O4 — CID 154633479

IUPACN-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
SMILESCOc1ccc(C(=O)N2CC=C(c3cc(N(C=O)C4CC4)nc4[nH]ccc34)C(C)C2)c(OC)c1
InChIInChI=1S/C26H28N4O4/c1-16-14-29(26(32)21-7-6-18(33-2)12-23(21)34-3)11-9-19(16)22-13-24(30(15-31)17-4-5-17)28-25-20(22)8-10-27-25/h6-10,12-13,15-17H,4-5,11,14H2,1-3H3,(H,27,28)
InChIKeyAZIWZACYEQFYQD-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.88
Rot. Bonds7

About 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

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 (PubChem CID 154633479) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID154633479
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-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
SMILESCOc1ccc(C(=O)N2CC=C(c3cc(N(C=O)C4CC4)nc4[nH]ccc34)C(C)C2)c(OC)c1
InChIInChI=1S/C26H28N4O4/c1-16-14-29(26(32)21-7-6-18(33-2)12-23(21)34-3)11-9-19(16)22-13-24(30(15-31)17-4-5-17)28-25-20(22)8-10-27-25/h6-10,12-13,15-17H,4-5,11,14H2,1-3H3,(H,27,28)
InChIKeyAZIWZACYEQFYQD-UHFFFAOYSA-N
XLogP3.88
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633701
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
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-[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
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
N-[4-[1-(2-cyanoethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633404
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-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633515
N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633841
N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633846
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633371

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C(=O)N2CC=C(c3cc(N(C=O)C4CC4)nc4[nH]ccc34)C(C)C2)c(OC)c1.
What is the InChIKey of 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?
The InChIKey is AZIWZACYEQFYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-14-29(26(32)21-7-6-18(33-2)12-23(21)34-3)11-9-19(16)22-13-24(30(15-31)17-4-5-17)28-25-20(22)8-10-27-25/h6-10,12-13,15-17H,4-5,11,14H2,1-3H3,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 460.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154633479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).