4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one

C20H32N4O — CID 70955833

IUPAC4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one
SMILESCCCCC(CCCC)Nc1c(C(=O)CCCN)cnc2[nH]ccc12
InChIInChI=1S/C20H32N4O/c1-3-5-8-15(9-6-4-2)24-19-16-11-13-22-20(16)23-14-17(19)18(25)10-7-12-21/h11,13-15H,3-10,12,21H2,1-2H3,(H2,22,23,24)
InChIKeyZRIMPGGCBJVZRA-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.65
Rot. Bonds12

About 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one

4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one (PubChem CID 70955833) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one
PubChem CID70955833
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one
SMILESCCCCC(CCCC)Nc1c(C(=O)CCCN)cnc2[nH]ccc12
InChIInChI=1S/C20H32N4O/c1-3-5-8-15(9-6-4-2)24-19-16-11-13-22-20(16)23-14-17(19)18(25)10-7-12-21/h11,13-15H,3-10,12,21H2,1-2H3,(H2,22,23,24)
InChIKeyZRIMPGGCBJVZRA-UHFFFAOYSA-N
XLogP4.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278444
N-ethyl-4-[[(2S,5S)-5-ethyl-5-hydroxyoctan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70796094
ethyl 4-[(4-methylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624764
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
ethyl 4-[[(1S,3S)-3-methylcyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 159438356
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)octan-1-one
CID 106884870
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 121267960
4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 164962853
ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;dihydrochloride
CID 163229869
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one (CID 70955833) is 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one is CCCCC(CCCC)Nc1c(C(=O)CCCN)cnc2[nH]ccc12.
What is the InChIKey of 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one?
The InChIKey is ZRIMPGGCBJVZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-5-8-15(9-6-4-2)24-19-16-11-13-22-20(16)23-14-17(19)18(25)10-7-12-21/h11,13-15H,3-10,12,21H2,1-2H3,(H2,22,23,24).
What are the key properties of 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one?
4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one has a molecular weight of 344.50 g/mol, XLogP of 4.65, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(nonan-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-one is sourced from PubChem (CID 70955833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).