N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride

C19H28ClN5OS — CID 67045561

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)Sc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.Cl
InChIInChI=1S/C19H27N5OS.ClH/c1-11(2)26-15-9-22-18-16(17(15)24-7-3-4-13(20)10-24)14(8-21-18)23-19(25)12-5-6-12;/h8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);1H/t13-;/m1./s1
InChIKeyIQVFUVOHMRPHHL-BTQNPOSSSA-N
MW409.99 g/mol
LogP3.76
Rot. Bonds5

About N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride (PubChem CID 67045561) has the molecular formula C19H28ClN5OS and a molecular weight of 409.99 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride
PubChem CID67045561
Molecular FormulaC19H28ClN5OS
Molecular Weight409.99 g/mol
Exact Mass409.17
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)Sc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.Cl
InChIInChI=1S/C19H27N5OS.ClH/c1-11(2)26-15-9-22-18-16(17(15)24-7-3-4-13(20)10-24)14(8-21-18)23-19(25)12-5-6-12;/h8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);1H/t13-;/m1./s1
InChIKeyIQVFUVOHMRPHHL-BTQNPOSSSA-N
XLogP3.76
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.99
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;dihydrochloride
CID 131749450
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclobutanecarboxamide;hydrochloride
CID 67045502
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclobutanecarboxamide
CID 44515341
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;ethanesulfonic acid
CID 122506484
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(E)-but-2-enedioic acid
CID 122506491
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;ethanesulfonic acid;hydrate
CID 172744353
N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide
CID 67045613
N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 118496982
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide
CID 71257264
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
CID 67045549
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide;hydrochloride
CID 67045974
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoropropanamide;hydrochloride
CID 67045283

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride (CID 67045561) is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride is CC(C)Sc1cnc2[nH]cc(NC(=O)C3CC3)c2c1N1CCC[C@@H](N)C1.Cl.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is IQVFUVOHMRPHHL-BTQNPOSSSA-N. The full InChI is InChI=1S/C19H27N5OS.ClH/c1-11(2)26-15-9-22-18-16(17(15)24-7-3-4-13(20)10-24)14(8-21-18)23-19(25)12-5-6-12;/h8-9,11-13H,3-7,10,20H2,1-2H3,(H,21,22)(H,23,25);1H/t13-;/m1./s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride?
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 409.99 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 67045561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).