(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide

C20H25N5O — CID 120934285

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide
SMILESCCCn1ccc2ccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)cc21
InChIInChI=1S/C20H25N5O/c1-3-7-25-8-6-14-4-5-16(9-19(14)25)23-20(26)18-12-21-11-17(18)15-10-22-24(2)13-15/h4-6,8-10,13,17-18,21H,3,7,11-12H2,1-2H3,(H,23,26)/t17-,18+/m1/s1
InChIKeyDKPBPDLQWOEFAM-MSOLQXFVSA-N
MW351.45 g/mol
LogP2.73
Rot. Bonds5

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide (PubChem CID 120934285) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide
PubChem CID120934285
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide
SMILESCCCn1ccc2ccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)cc21
InChIInChI=1S/C20H25N5O/c1-3-7-25-8-6-14-4-5-16(9-19(14)25)23-20(26)18-12-21-11-17(18)15-10-22-24(2)13-15/h4-6,8-10,13,17-18,21H,3,7,11-12H2,1-2H3,(H,23,26)/t17-,18+/m1/s1
InChIKeyDKPBPDLQWOEFAM-MSOLQXFVSA-N
XLogP2.73
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide (CID 120934285) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide is CCCn1ccc2ccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)cc21.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is DKPBPDLQWOEFAM-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-7-25-8-6-14-4-5-16(9-19(14)25)23-20(26)18-12-21-11-17(18)15-10-22-24(2)13-15/h4-6,8-10,13,17-18,21H,3,7,11-12H2,1-2H3,(H,23,26)/t17-,18+/m1/s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide?
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120934285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).