[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone

C23H25N5O2 — CID 162300450

IUPAC[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5[nH]ccc5n4)cc3)CC2)CCC1
InChIInChI=1S/C23H25N5O2/c24-23(9-1-10-23)22(30)28-14-12-27(13-15-28)21(29)17-4-2-16(3-5-17)18-6-7-19-20(26-18)8-11-25-19/h2-8,11,25H,1,9-10,12-15,24H2
InChIKeyHGAZIKCVEBXOFN-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.40
Rot. Bonds3

About [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone

[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone (PubChem CID 162300450) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone
PubChem CID162300450
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5[nH]ccc5n4)cc3)CC2)CCC1
InChIInChI=1S/C23H25N5O2/c24-23(9-1-10-23)22(30)28-14-12-27(13-15-28)21(29)17-4-2-16(3-5-17)18-6-7-19-20(26-18)8-11-25-19/h2-8,11,25H,1,9-10,12-15,24H2
InChIKeyHGAZIKCVEBXOFN-UHFFFAOYSA-N
XLogP2.40
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119281941
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
CID 119309536
(4-furo[3,2-b]pyridin-5-ylphenyl)-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 160731330
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone
CID 139452161
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
[4-(1-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119302744
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CID 118621575
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclononyl-1,3-dimethyl-2H-indazol-5-yl)phenyl]methanone
CID 139379691
3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one
CID 161388153
[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(1,3-benzothiazol-2-yl)phenyl]methanone
CID 118621640
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1H-indol-4-yl)phenyl]methanone
CID 118621539
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methyl-2,3-dihydrobenzotriazol-4-yl)phenyl]methanone
CID 163882772

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone?
The IUPAC name of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone (CID 162300450) is [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone?
The canonical SMILES for [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone is NC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5[nH]ccc5n4)cc3)CC2)CCC1.
What is the InChIKey of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone?
The InChIKey is HGAZIKCVEBXOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-23(9-1-10-23)22(30)28-14-12-27(13-15-28)21(29)17-4-2-16(3-5-17)18-6-7-19-20(26-18)8-11-25-19/h2-8,11,25H,1,9-10,12-15,24H2.
What are the key properties of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone?
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone has a molecular weight of 403.49 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone is sourced from PubChem (CID 162300450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).