2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

C20H25N5O2 — CID 166961740

IUPAC2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1C(C)(C)O
InChIInChI=1S/C20H25N5O2/c1-20(2,26)14-12-25-16(11-22-19(25)9-17(14)27-3)15-5-4-6-18(24-15)23-13-7-8-21-10-13/h4-6,9,11-13,21,26H,7-8,10H2,1-3H3,(H,23,24)
InChIKeyRHRXEAWAWAWOBE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.41
Rot. Bonds5

About 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 166961740) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID166961740
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1C(C)(C)O
InChIInChI=1S/C20H25N5O2/c1-20(2,26)14-12-25-16(11-22-19(25)9-17(14)27-3)15-5-4-6-18(24-15)23-13-7-8-21-10-13/h4-6,9,11-13,21,26H,7-8,10H2,1-3H3,(H,23,24)
InChIKeyRHRXEAWAWAWOBE-UHFFFAOYSA-N
XLogP2.41
TPSA83.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 166961740) is 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1C(C)(C)O.
What is the InChIKey of 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is RHRXEAWAWAWOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-20(2,26)14-12-25-16(11-22-19(25)9-17(14)27-3)15-5-4-6-18(24-15)23-13-7-8-21-10-13/h4-6,9,11-13,21,26H,7-8,10H2,1-3H3,(H,23,24).
What are the key properties of 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 367.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 166961740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).