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

C27H25N5O — CID 129186673

IUPAC(4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone
SMILESNC1CCN(C(=O)c2c[nH]c3ccc(-c4cnc5[nH]c(-c6ccccc6)cc5c4)cc23)CC1
InChIInChI=1S/C27H25N5O/c28-21-8-10-32(11-9-21)27(33)23-16-29-24-7-6-18(13-22(23)24)20-12-19-14-25(31-26(19)30-15-20)17-4-2-1-3-5-17/h1-7,12-16,21,29H,8-11,28H2,(H,30,31)
InChIKeyZOVDQZCXUBIYNJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.94
Rot. Bonds3

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

(4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone (PubChem CID 129186673) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone
PubChem CID129186673
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name(4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone
SMILESNC1CCN(C(=O)c2c[nH]c3ccc(-c4cnc5[nH]c(-c6ccccc6)cc5c4)cc23)CC1
InChIInChI=1S/C27H25N5O/c28-21-8-10-32(11-9-21)27(33)23-16-29-24-7-6-18(13-22(23)24)20-12-19-14-25(31-26(19)30-15-20)17-4-2-1-3-5-17/h1-7,12-16,21,29H,8-11,28H2,(H,30,31)
InChIKeyZOVDQZCXUBIYNJ-UHFFFAOYSA-N
XLogP4.94
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone (CID 129186673) is (4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone is NC1CCN(C(=O)c2c[nH]c3ccc(-c4cnc5[nH]c(-c6ccccc6)cc5c4)cc23)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone?
The InChIKey is ZOVDQZCXUBIYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c28-21-8-10-32(11-9-21)27(33)23-16-29-24-7-6-18(13-22(23)24)20-12-19-14-25(31-26(19)30-15-20)17-4-2-1-3-5-17/h1-7,12-16,21,29H,8-11,28H2,(H,30,31).
What are the key properties of (4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone?
(4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone has a molecular weight of 435.53 g/mol, XLogP of 4.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone is sourced from PubChem (CID 129186673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).