(2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide

C23H23N5O2 — CID 118735793

IUPAC(2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide
SMILESCn1cc(-c2c[nH]c3ccc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)cc23)cn1
InChIInChI=1S/C23H23N5O2/c1-28-14-15(12-26-28)20-13-25-21-9-8-18(11-19(20)21)30-17-6-4-16(5-7-17)27-23(29)22-3-2-10-24-22/h4-9,11-14,22,24-25H,2-3,10H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyVJDXFFBSNLNWJD-QFIPXVFZSA-N
MW401.47 g/mol
LogP4.05
Rot. Bonds5

About (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide

(2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide (PubChem CID 118735793) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide
PubChem CID118735793
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide
SMILESCn1cc(-c2c[nH]c3ccc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)cc23)cn1
InChIInChI=1S/C23H23N5O2/c1-28-14-15(12-26-28)20-13-25-21-9-8-18(11-19(20)21)30-17-6-4-16(5-7-17)27-23(29)22-3-2-10-24-22/h4-9,11-14,22,24-25H,2-3,10H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyVJDXFFBSNLNWJD-QFIPXVFZSA-N
XLogP4.05
TPSA83.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide (CID 118735793) is (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide is Cn1cc(-c2c[nH]c3ccc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)cc23)cn1.
What is the InChIKey of (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is VJDXFFBSNLNWJD-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-28-14-15(12-26-28)20-13-25-21-9-8-18(11-19(20)21)30-17-6-4-16(5-7-17)27-23(29)22-3-2-10-24-22/h4-9,11-14,22,24-25H,2-3,10H2,1H3,(H,27,29)/t22-/m0/s1.
What are the key properties of (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118735793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).