(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C18H18N4O3 — CID 97110056

IUPAC(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@H](C(=O)NCc1cn3cccnc3n1)C2
InChIInChI=1S/C18H18N4O3/c1-24-15-5-2-4-12-8-13(11-25-16(12)15)17(23)20-9-14-10-22-7-3-6-19-18(22)21-14/h2-7,10,13H,8-9,11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyBYCHVQRPSUORQA-CYBMUJFWSA-N
MW338.37 g/mol
LogP1.61
Rot. Bonds4

About (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97110056) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97110056
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@H](C(=O)NCc1cn3cccnc3n1)C2
InChIInChI=1S/C18H18N4O3/c1-24-15-5-2-4-12-8-13(11-25-16(12)15)17(23)20-9-14-10-22-7-3-6-19-18(22)21-14/h2-7,10,13H,8-9,11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyBYCHVQRPSUORQA-CYBMUJFWSA-N
XLogP1.61
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 97110056) is (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OC[C@H](C(=O)NCc1cn3cccnc3n1)C2.
What is the InChIKey of (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BYCHVQRPSUORQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-15-5-2-4-12-8-13(11-25-16(12)15)17(23)20-9-14-10-22-7-3-6-19-18(22)21-14/h2-7,10,13H,8-9,11H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97110056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).