1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride

C22H28ClN5O2 — CID 176761496

IUPAC1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@@H](C(=O)N[C@@H]1CCc2nc(N)ccc21)N1CC(c2ccccc2)CC1C(N)=O.Cl
InChIInChI=1S/C22H27N5O2.ClH/c1-13(22(29)26-18-9-8-17-16(18)7-10-20(23)25-17)27-12-15(11-19(27)21(24)28)14-5-3-2-4-6-14;/h2-7,10,13,15,18-19H,8-9,11-12H2,1H3,(H2,23,25)(H2,24,28)(H,26,29);1H/t13-,15?,18+,19?;/m0./s1
InChIKeyQAYYQWZLEDIMMO-RFBMBXFNSA-N
MW429.95 g/mol
LogP1.92
Rot. Bonds5

About 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride

1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 176761496) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID176761496
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@@H](C(=O)N[C@@H]1CCc2nc(N)ccc21)N1CC(c2ccccc2)CC1C(N)=O.Cl
InChIInChI=1S/C22H27N5O2.ClH/c1-13(22(29)26-18-9-8-17-16(18)7-10-20(23)25-17)27-12-15(11-19(27)21(24)28)14-5-3-2-4-6-14;/h2-7,10,13,15,18-19H,8-9,11-12H2,1H3,(H2,23,25)(H2,24,28)(H,26,29);1H/t13-,15?,18+,19?;/m0./s1
InChIKeyQAYYQWZLEDIMMO-RFBMBXFNSA-N
XLogP1.92
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride (CID 176761496) is 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride is C[C@@H](C(=O)N[C@@H]1CCc2nc(N)ccc21)N1CC(c2ccccc2)CC1C(N)=O.Cl.
What is the InChIKey of 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QAYYQWZLEDIMMO-RFBMBXFNSA-N. The full InChI is InChI=1S/C22H27N5O2.ClH/c1-13(22(29)26-18-9-8-17-16(18)7-10-20(23)25-17)27-12-15(11-19(27)21(24)28)14-5-3-2-4-6-14;/h2-7,10,13,15,18-19H,8-9,11-12H2,1H3,(H2,23,25)(H2,24,28)(H,26,29);1H/t13-,15?,18+,19?;/m0./s1.
What are the key properties of 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride?
1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 176761496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).