N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide

C20H29N5O2 — CID 91923009

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
SMILESCN(C)C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C20H29N5O2/c1-24(2)11-14-12-25(15-7-9-27-10-8-15)13-18(14)21-20(26)19-16-5-3-4-6-17(16)22-23-19/h3-6,14-15,18H,7-13H2,1-2H3,(H,21,26)(H,22,23)/t14-,18-/m1/s1
InChIKeyOZKZDSJYUJEKLU-RDTXWAMCSA-N
MW371.49 g/mol
LogP1.33
Rot. Bonds5

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide (PubChem CID 91923009) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
PubChem CID91923009
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
SMILESCN(C)C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C20H29N5O2/c1-24(2)11-14-12-25(15-7-9-27-10-8-15)13-18(14)21-20(26)19-16-5-3-4-6-17(16)22-23-19/h3-6,14-15,18H,7-13H2,1-2H3,(H,21,26)(H,22,23)/t14-,18-/m1/s1
InChIKeyOZKZDSJYUJEKLU-RDTXWAMCSA-N
XLogP1.33
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide (CID 91923009) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide is CN(C)C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is OZKZDSJYUJEKLU-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-24(2)11-14-12-25(15-7-9-27-10-8-15)13-18(14)21-20(26)19-16-5-3-4-6-17(16)22-23-19/h3-6,14-15,18H,7-13H2,1-2H3,(H,21,26)(H,22,23)/t14-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 91923009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).