N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

C21H29N5O3 — CID 59829648

IUPACN-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)N[C@@H]2CN[C@H](CC(=O)N3CCOCC3)C2)c2ccccc21
InChIInChI=1S/C21H29N5O3/c1-14(2)26-18-6-4-3-5-17(18)20(24-26)21(28)23-16-11-15(22-13-16)12-19(27)25-7-9-29-10-8-25/h3-6,14-16,22H,7-13H2,1-2H3,(H,23,28)/t15-,16-/m0/s1
InChIKeyGWCFJLDJXKSNPJ-HOTGVXAUSA-N
MW399.50 g/mol
LogP1.33
Rot. Bonds5

About N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 59829648) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID59829648
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)N[C@@H]2CN[C@H](CC(=O)N3CCOCC3)C2)c2ccccc21
InChIInChI=1S/C21H29N5O3/c1-14(2)26-18-6-4-3-5-17(18)20(24-26)21(28)23-16-11-15(22-13-16)12-19(27)25-7-9-29-10-8-25/h3-6,14-16,22H,7-13H2,1-2H3,(H,23,28)/t15-,16-/m0/s1
InChIKeyGWCFJLDJXKSNPJ-HOTGVXAUSA-N
XLogP1.33
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 59829648) is N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)N[C@@H]2CN[C@H](CC(=O)N3CCOCC3)C2)c2ccccc21.
What is the InChIKey of N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is GWCFJLDJXKSNPJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-14(2)26-18-6-4-3-5-17(18)20(24-26)21(28)23-16-11-15(22-13-16)12-19(27)25-7-9-29-10-8-25/h3-6,14-16,22H,7-13H2,1-2H3,(H,23,28)/t15-,16-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 59829648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).