N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide

C17H24BrN5O2 — CID 71257264

IUPACN-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(N)C3)c12
InChIInChI=1S/C17H24BrN5O2/c1-10(2)25-9-14(24)22-13-7-21-17-15(13)16(12(18)6-20-17)23-5-3-4-11(19)8-23/h6-7,10-11H,3-5,8-9,19H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyYFQNBMQDDKVMEO-UHFFFAOYSA-N
MW410.32 g/mol
LogP2.62
Rot. Bonds5

About N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide

N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide (PubChem CID 71257264) has the molecular formula C17H24BrN5O2 and a molecular weight of 410.32 g/mol. Its IUPAC name is N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide
PubChem CID71257264
Molecular FormulaC17H24BrN5O2
Molecular Weight410.32 g/mol
Exact Mass409.11
IUPAC NameN-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(N)C3)c12
InChIInChI=1S/C17H24BrN5O2/c1-10(2)25-9-14(24)22-13-7-21-17-15(13)16(12(18)6-20-17)23-5-3-4-11(19)8-23/h6-7,10-11H,3-5,8-9,19H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyYFQNBMQDDKVMEO-UHFFFAOYSA-N
XLogP2.62
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide (CID 71257264) is N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(N)C3)c12.
What is the InChIKey of N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide?
The InChIKey is YFQNBMQDDKVMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5O2/c1-10(2)25-9-14(24)22-13-7-21-17-15(13)16(12(18)6-20-17)23-5-3-4-11(19)8-23/h6-7,10-11H,3-5,8-9,19H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide?
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide has a molecular weight of 410.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 71257264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).