N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

C18H25N5O2 — CID 59829633

IUPACN-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCNC(=O)C[C@@H]1C[C@H](NC(=O)c2nn(C(C)C)c3ccccc23)CN1
InChIInChI=1S/C18H25N5O2/c1-11(2)23-15-7-5-4-6-14(15)17(22-23)18(25)21-13-8-12(20-10-13)9-16(24)19-3/h4-7,11-13,20H,8-10H2,1-3H3,(H,19,24)(H,21,25)/t12-,13-/m0/s1
InChIKeyBNGCYFRHRTXPEY-STQMWFEESA-N
MW343.43 g/mol
LogP1.21
Rot. Bonds5

About N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 59829633) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID59829633
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCNC(=O)C[C@@H]1C[C@H](NC(=O)c2nn(C(C)C)c3ccccc23)CN1
InChIInChI=1S/C18H25N5O2/c1-11(2)23-15-7-5-4-6-14(15)17(22-23)18(25)21-13-8-12(20-10-13)9-16(24)19-3/h4-7,11-13,20H,8-10H2,1-3H3,(H,19,24)(H,21,25)/t12-,13-/m0/s1
InChIKeyBNGCYFRHRTXPEY-STQMWFEESA-N
XLogP1.21
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 59829633) is N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is CNC(=O)C[C@@H]1C[C@H](NC(=O)c2nn(C(C)C)c3ccccc23)CN1.
What is the InChIKey of N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is BNGCYFRHRTXPEY-STQMWFEESA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11(2)23-15-7-5-4-6-14(15)17(22-23)18(25)21-13-8-12(20-10-13)9-16(24)19-3/h4-7,11-13,20H,8-10H2,1-3H3,(H,19,24)(H,21,25)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 59829633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).