[(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone

C22H19ClN6O — CID 92615840

IUPAC[(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone
SMILESNc1ccc(-c2ccc([C@@H]3CCCN3C(=O)c3cn4cc(Cl)ccc4n3)nc2)cn1
InChIInChI=1S/C22H19ClN6O/c23-16-5-8-21-27-18(13-28(21)12-16)22(30)29-9-1-2-19(29)17-6-3-14(10-25-17)15-4-7-20(24)26-11-15/h3-8,10-13,19H,1-2,9H2,(H2,24,26)/t19-/m0/s1
InChIKeyXIDDZFCUGOYIFU-IBGZPJMESA-N
MW418.89 g/mol
LogP4.00
Rot. Bonds3

About [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone

[(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 92615840) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID92615840
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC Name[(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone
SMILESNc1ccc(-c2ccc([C@@H]3CCCN3C(=O)c3cn4cc(Cl)ccc4n3)nc2)cn1
InChIInChI=1S/C22H19ClN6O/c23-16-5-8-21-27-18(13-28(21)12-16)22(30)29-9-1-2-19(29)17-6-3-14(10-25-17)15-4-7-20(24)26-11-15/h3-8,10-13,19H,1-2,9H2,(H2,24,26)/t19-/m0/s1
InChIKeyXIDDZFCUGOYIFU-IBGZPJMESA-N
XLogP4.00
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone (CID 92615840) is [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone is Nc1ccc(-c2ccc([C@@H]3CCCN3C(=O)c3cn4cc(Cl)ccc4n3)nc2)cn1.
What is the InChIKey of [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is XIDDZFCUGOYIFU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19ClN6O/c23-16-5-8-21-27-18(13-28(21)12-16)22(30)29-9-1-2-19(29)17-6-3-14(10-25-17)15-4-7-20(24)26-11-15/h3-8,10-13,19H,1-2,9H2,(H2,24,26)/t19-/m0/s1.
What are the key properties of [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone?
[(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 418.89 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-(6-chloroimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 92615840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).