N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

C20H30N4O3 — CID 59829632

IUPACN-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)N[C@@H]2CN[C@H](COCC(C)(C)O)C2)c2ccccc21
InChIInChI=1S/C20H30N4O3/c1-13(2)24-17-8-6-5-7-16(17)18(23-24)19(25)22-14-9-15(21-10-14)11-27-12-20(3,4)26/h5-8,13-15,21,26H,9-12H2,1-4H3,(H,22,25)/t14-,15-/m0/s1
InChIKeyRQDXEGNGZYADNP-GJZGRUSLSA-N
MW374.49 g/mol
LogP1.87
Rot. Bonds7

About N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 59829632) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID59829632
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)N[C@@H]2CN[C@H](COCC(C)(C)O)C2)c2ccccc21
InChIInChI=1S/C20H30N4O3/c1-13(2)24-17-8-6-5-7-16(17)18(23-24)19(25)22-14-9-15(21-10-14)11-27-12-20(3,4)26/h5-8,13-15,21,26H,9-12H2,1-4H3,(H,22,25)/t14-,15-/m0/s1
InChIKeyRQDXEGNGZYADNP-GJZGRUSLSA-N
XLogP1.87
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 59829632) is N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)N[C@@H]2CN[C@H](COCC(C)(C)O)C2)c2ccccc21.
What is the InChIKey of N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is RQDXEGNGZYADNP-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)24-17-8-6-5-7-16(17)18(23-24)19(25)22-14-9-15(21-10-14)11-27-12-20(3,4)26/h5-8,13-15,21,26H,9-12H2,1-4H3,(H,22,25)/t14-,15-/m0/s1.
What are the key properties of N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 59829632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).