N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine

C20H19N5O — CID 67521292

IUPACN-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine
SMILESc1ccc2oc(Nc3ccc(-c4cnn([C@@H]5CCNC5)c4)cn3)cc2c1
InChIInChI=1S/C20H19N5O/c1-2-4-18-14(3-1)9-20(26-18)24-19-6-5-15(10-22-19)16-11-23-25(13-16)17-7-8-21-12-17/h1-6,9-11,13,17,21H,7-8,12H2,(H,22,24)/t17-/m1/s1
InChIKeyOATNZZJMBKOIKC-QGZVFWFLSA-N
MW345.41 g/mol
LogP3.97
Rot. Bonds4

About N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine

N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 67521292) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine
PubChem CID67521292
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine
SMILESc1ccc2oc(Nc3ccc(-c4cnn([C@@H]5CCNC5)c4)cn3)cc2c1
InChIInChI=1S/C20H19N5O/c1-2-4-18-14(3-1)9-20(26-18)24-19-6-5-15(10-22-19)16-11-23-25(13-16)17-7-8-21-12-17/h1-6,9-11,13,17,21H,7-8,12H2,(H,22,24)/t17-/m1/s1
InChIKeyOATNZZJMBKOIKC-QGZVFWFLSA-N
XLogP3.97
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine (CID 67521292) is N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine is c1ccc2oc(Nc3ccc(-c4cnn([C@@H]5CCNC5)c4)cn3)cc2c1.
What is the InChIKey of N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine?
The InChIKey is OATNZZJMBKOIKC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-4-18-14(3-1)9-20(26-18)24-19-6-5-15(10-22-19)16-11-23-25(13-16)17-7-8-21-12-17/h1-6,9-11,13,17,21H,7-8,12H2,(H,22,24)/t17-/m1/s1.
What are the key properties of N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine?
N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-yl)-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 67521292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).