7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22N6O — CID 124954952

IUPAC7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c([C@@H]3CCN(Cc4c[nH]c5ccccc45)C3)ccnc12
InChIInChI=1S/C21H22N6O/c1-22-21(28)17-11-25-27-19(6-8-23-20(17)27)14-7-9-26(12-14)13-15-10-24-18-5-3-2-4-16(15)18/h2-6,8,10-11,14,24H,7,9,12-13H2,1H3,(H,22,28)/t14-/m1/s1
InChIKeyFGEWMFASGKVQRN-CQSZACIVSA-N
MW374.45 g/mol
LogP2.56
Rot. Bonds4

About 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124954952) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124954952
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c([C@@H]3CCN(Cc4c[nH]c5ccccc45)C3)ccnc12
InChIInChI=1S/C21H22N6O/c1-22-21(28)17-11-25-27-19(6-8-23-20(17)27)14-7-9-26(12-14)13-15-10-24-18-5-3-2-4-16(15)18/h2-6,8,10-11,14,24H,7,9,12-13H2,1H3,(H,22,28)/t14-/m1/s1
InChIKeyFGEWMFASGKVQRN-CQSZACIVSA-N
XLogP2.56
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124954952) is 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c([C@@H]3CCN(Cc4c[nH]c5ccccc45)C3)ccnc12.
What is the InChIKey of 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FGEWMFASGKVQRN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N6O/c1-22-21(28)17-11-25-27-19(6-8-23-20(17)27)14-7-9-26(12-14)13-15-10-24-18-5-3-2-4-16(15)18/h2-6,8,10-11,14,24H,7,9,12-13H2,1H3,(H,22,28)/t14-/m1/s1.
What are the key properties of 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124954952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).