(4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one

C20H21N5O — CID 128976731

IUPAC(4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
SMILESO=C1C[C@@H](NCc2cnn3ccccc23)[C@H](c2cccnc2)N1C1CC1
InChIInChI=1S/C20H21N5O/c26-19-10-17(22-12-15-13-23-24-9-2-1-5-18(15)24)20(25(19)16-6-7-16)14-4-3-8-21-11-14/h1-5,8-9,11,13,16-17,20,22H,6-7,10,12H2/t17-,20+/m1/s1
InChIKeyMFSWJFDXHWQDCH-XLIONFOSSA-N
MW347.42 g/mol
LogP2.32
Rot. Bonds5

About (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one

(4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 128976731) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID128976731
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
SMILESO=C1C[C@@H](NCc2cnn3ccccc23)[C@H](c2cccnc2)N1C1CC1
InChIInChI=1S/C20H21N5O/c26-19-10-17(22-12-15-13-23-24-9-2-1-5-18(15)24)20(25(19)16-6-7-16)14-4-3-8-21-11-14/h1-5,8-9,11,13,16-17,20,22H,6-7,10,12H2/t17-,20+/m1/s1
InChIKeyMFSWJFDXHWQDCH-XLIONFOSSA-N
XLogP2.32
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one (CID 128976731) is (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one is O=C1C[C@@H](NCc2cnn3ccccc23)[C@H](c2cccnc2)N1C1CC1.
What is the InChIKey of (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is MFSWJFDXHWQDCH-XLIONFOSSA-N. The full InChI is InChI=1S/C20H21N5O/c26-19-10-17(22-12-15-13-23-24-9-2-1-5-18(15)24)20(25(19)16-6-7-16)14-4-3-8-21-11-14/h1-5,8-9,11,13,16-17,20,22H,6-7,10,12H2/t17-,20+/m1/s1.
What are the key properties of (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one?
(4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 128976731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).