[2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

C20H23N5O2 — CID 167014228

IUPAC[2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(c1cnc(N[C@@H]2CCc3ncccc32)nc1)N1CCC2(CCOC2)C1
InChIInChI=1S/C20H23N5O2/c26-18(25-8-5-20(12-25)6-9-27-13-20)14-10-22-19(23-11-14)24-17-4-3-16-15(17)2-1-7-21-16/h1-2,7,10-11,17H,3-6,8-9,12-13H2,(H,22,23,24)/t17-,20?/m1/s1
InChIKeyIXMYIXLZZLIMIZ-DIAVIDTQSA-N
MW365.44 g/mol
LogP2.22
Rot. Bonds3

About [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

[2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 167014228) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name[2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID167014228
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(c1cnc(N[C@@H]2CCc3ncccc32)nc1)N1CCC2(CCOC2)C1
InChIInChI=1S/C20H23N5O2/c26-18(25-8-5-20(12-25)6-9-27-13-20)14-10-22-19(23-11-14)24-17-4-3-16-15(17)2-1-7-21-16/h1-2,7,10-11,17H,3-6,8-9,12-13H2,(H,22,23,24)/t17-,20?/m1/s1
InChIKeyIXMYIXLZZLIMIZ-DIAVIDTQSA-N
XLogP2.22
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 167014228) is [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is O=C(c1cnc(N[C@@H]2CCc3ncccc32)nc1)N1CCC2(CCOC2)C1.
What is the InChIKey of [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is IXMYIXLZZLIMIZ-DIAVIDTQSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-18(25-8-5-20(12-25)6-9-27-13-20)14-10-22-19(23-11-14)24-17-4-3-16-15(17)2-1-7-21-16/h1-2,7,10-11,17H,3-6,8-9,12-13H2,(H,22,23,24)/t17-,20?/m1/s1.
What are the key properties of [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
[2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 167014228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).