N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

C23H27N5O3 — CID 157029969

IUPACN-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)NC12CC(C1)C2)c1nc(-c2cc(OC3COC3)ccn2)nc2c1CCC2
InChIInChI=1S/C23H27N5O3/c1-28(11-20(29)27-23-8-14(9-23)10-23)22-17-3-2-4-18(17)25-21(26-22)19-7-15(5-6-24-19)31-16-12-30-13-16/h5-7,14,16H,2-4,8-13H2,1H3,(H,27,29)
InChIKeyHZNKANCPVOMFNQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.91
Rot. Bonds7

About N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (PubChem CID 157029969) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
PubChem CID157029969
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)NC12CC(C1)C2)c1nc(-c2cc(OC3COC3)ccn2)nc2c1CCC2
InChIInChI=1S/C23H27N5O3/c1-28(11-20(29)27-23-8-14(9-23)10-23)22-17-3-2-4-18(17)25-21(26-22)19-7-15(5-6-24-19)31-16-12-30-13-16/h5-7,14,16H,2-4,8-13H2,1H3,(H,27,29)
InChIKeyHZNKANCPVOMFNQ-UHFFFAOYSA-N
XLogP1.91
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (CID 157029969) is N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is CN(CC(=O)NC12CC(C1)C2)c1nc(-c2cc(OC3COC3)ccn2)nc2c1CCC2.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is HZNKANCPVOMFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-28(11-20(29)27-23-8-14(9-23)10-23)22-17-3-2-4-18(17)25-21(26-22)19-7-15(5-6-24-19)31-16-12-30-13-16/h5-7,14,16H,2-4,8-13H2,1H3,(H,27,29).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 421.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 157029969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).