(2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide

C23H29Cl2N5O4 — CID 175871233

IUPAC(2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C(CC1CC1)[C@]1(C(N)=O)Cc2cc(Cl)cc(Cl)c2N1
InChIInChI=1S/C23H29Cl2N5O4/c24-14-7-13-10-23(22(27)34,30-18(13)16(25)9-14)15(6-11-3-4-11)21(33)29-17(19(26)31)8-12-2-1-5-28-20(12)32/h7,9,11-12,15,17,30H,1-6,8,10H2,(H2,26,31)(H2,27,34)(H,28,32)(H,29,33)/t12-,15?,17-,23-/m0/s1
InChIKeyJALAAUNAEWGGTH-BAGNLHGUSA-N
MW510.42 g/mol
LogP1.49
Rot. Bonds9

About (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide

(2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide (PubChem CID 175871233) has the molecular formula C23H29Cl2N5O4 and a molecular weight of 510.42 g/mol. Its IUPAC name is (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide
PubChem CID175871233
Molecular FormulaC23H29Cl2N5O4
Molecular Weight510.42 g/mol
Exact Mass509.16
IUPAC Name(2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C(CC1CC1)[C@]1(C(N)=O)Cc2cc(Cl)cc(Cl)c2N1
InChIInChI=1S/C23H29Cl2N5O4/c24-14-7-13-10-23(22(27)34,30-18(13)16(25)9-14)15(6-11-3-4-11)21(33)29-17(19(26)31)8-12-2-1-5-28-20(12)32/h7,9,11-12,15,17,30H,1-6,8,10H2,(H2,26,31)(H2,27,34)(H,28,32)(H,29,33)/t12-,15?,17-,23-/m0/s1
InChIKeyJALAAUNAEWGGTH-BAGNLHGUSA-N
XLogP1.49
TPSA156.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.42
LogP ≤ 51.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide (CID 175871233) is (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide is NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C(CC1CC1)[C@]1(C(N)=O)Cc2cc(Cl)cc(Cl)c2N1.
What is the InChIKey of (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide?
The InChIKey is JALAAUNAEWGGTH-BAGNLHGUSA-N. The full InChI is InChI=1S/C23H29Cl2N5O4/c24-14-7-13-10-23(22(27)34,30-18(13)16(25)9-14)15(6-11-3-4-11)21(33)29-17(19(26)31)8-12-2-1-5-28-20(12)32/h7,9,11-12,15,17,30H,1-6,8,10H2,(H2,26,31)(H2,27,34)(H,28,32)(H,29,33)/t12-,15?,17-,23-/m0/s1.
What are the key properties of (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide?
(2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide has a molecular weight of 510.42 g/mol, XLogP of 1.49, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5,7-dichloro-1,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 175871233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).