(2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium

C22H27LrN7O3 — CID 157032029

IUPAC(2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium
SMILESC[C@H](C(=O)Nc1cnn(C)c1)N(C)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2.[Lr]
InChIInChI=1S/C22H27N7O3.Lr/c1-14(22(31)25-15-12-24-28(2)13-15)29(3)21-17-5-4-6-18(17)26-20(27-21)19-11-16(7-8-23-19)32-10-9-30;/h7-8,11-14,30H,4-6,9-10H2,1-3H3,(H,25,31);/t14-;/m1./s1
InChIKeySDAZCYFSBRCIMA-PFEQFJNWSA-N
MW699.50 g/mol
LogP1.60
Rot. Bonds8

About (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium

(2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium (PubChem CID 157032029) has the molecular formula C22H27LrN7O3 and a molecular weight of 699.50 g/mol. Its IUPAC name is (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium.

Molecular Properties

Compound Name(2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium
PubChem CID157032029
Molecular FormulaC22H27LrN7O3
Molecular Weight699.50 g/mol
Exact Mass699.33
IUPAC Name(2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium
SMILESC[C@H](C(=O)Nc1cnn(C)c1)N(C)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2.[Lr]
InChIInChI=1S/C22H27N7O3.Lr/c1-14(22(31)25-15-12-24-28(2)13-15)29(3)21-17-5-4-6-18(17)26-20(27-21)19-11-16(7-8-23-19)32-10-9-30;/h7-8,11-14,30H,4-6,9-10H2,1-3H3,(H,25,31);/t14-;/m1./s1
InChIKeySDAZCYFSBRCIMA-PFEQFJNWSA-N
XLogP1.60
TPSA118.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500699.50
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium?
The IUPAC name of (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium (CID 157032029) is (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium.
What is the SMILES notation for (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium?
The canonical SMILES for (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium is C[C@H](C(=O)Nc1cnn(C)c1)N(C)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2.[Lr].
What is the InChIKey of (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium?
The InChIKey is SDAZCYFSBRCIMA-PFEQFJNWSA-N. The full InChI is InChI=1S/C22H27N7O3.Lr/c1-14(22(31)25-15-12-24-28(2)13-15)29(3)21-17-5-4-6-18(17)26-20(27-21)19-11-16(7-8-23-19)32-10-9-30;/h7-8,11-14,30H,4-6,9-10H2,1-3H3,(H,25,31);/t14-;/m1./s1.
What are the key properties of (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium?
(2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium has a molecular weight of 699.50 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(1-methylpyrazol-4-yl)propanamide;lawrencium is sourced from PubChem (CID 157032029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).