4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide

C23H22FN5O — CID 59936510

IUPAC4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide
SMILESCn1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccc(NC(=O)CCCN)nc21
InChIInChI=1S/C23H22FN5O/c1-29-22(16-4-6-17(24)7-5-16)21(15-10-13-26-14-11-15)18-8-9-19(28-23(18)29)27-20(30)3-2-12-25/h4-11,13-14H,2-3,12,25H2,1H3,(H,27,28,30)
InChIKeyKKSMEMXHAAHCQN-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.12
Rot. Bonds6

About 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide

4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide (PubChem CID 59936510) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide
PubChem CID59936510
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide
SMILESCn1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccc(NC(=O)CCCN)nc21
InChIInChI=1S/C23H22FN5O/c1-29-22(16-4-6-17(24)7-5-16)21(15-10-13-26-14-11-15)18-8-9-19(28-23(18)29)27-20(30)3-2-12-25/h4-11,13-14H,2-3,12,25H2,1H3,(H,27,28,30)
InChIKeyKKSMEMXHAAHCQN-UHFFFAOYSA-N
XLogP4.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide (CID 59936510) is 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide is Cn1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccc(NC(=O)CCCN)nc21.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide?
The InChIKey is KKSMEMXHAAHCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-29-22(16-4-6-17(24)7-5-16)21(15-10-13-26-14-11-15)18-8-9-19(28-23(18)29)27-20(30)3-2-12-25/h4-11,13-14H,2-3,12,25H2,1H3,(H,27,28,30).
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide?
4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide has a molecular weight of 403.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide is sourced from PubChem (CID 59936510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).