4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C27H33N5O4 — CID 67956449

IUPAC4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(CC)ccc4OCC4CC4)ncnc23)C1
InChIInChI=1S/C27H33N5O4/c1-4-16-8-9-21(36-13-17-6-7-17)18(10-16)24-26-25(29-14-28-24)23(15(3)30-26)27(35)31-19-11-32(12-20(19)33)22(34)5-2/h8-10,14,17,19-20,30,33H,4-7,11-13H2,1-3H3,(H,31,35)/t19-,20-/m1/s1
InChIKeyDGDMTVFGNUHAOT-WOJBJXKFSA-N
MW491.59 g/mol
LogP3.00
Rot. Bonds8

About 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 67956449) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID67956449
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(CC)ccc4OCC4CC4)ncnc23)C1
InChIInChI=1S/C27H33N5O4/c1-4-16-8-9-21(36-13-17-6-7-17)18(10-16)24-26-25(29-14-28-24)23(15(3)30-26)27(35)31-19-11-32(12-20(19)33)22(34)5-2/h8-10,14,17,19-20,30,33H,4-7,11-13H2,1-3H3,(H,31,35)/t19-,20-/m1/s1
InChIKeyDGDMTVFGNUHAOT-WOJBJXKFSA-N
XLogP3.00
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 67956449) is 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(CC)ccc4OCC4CC4)ncnc23)C1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is DGDMTVFGNUHAOT-WOJBJXKFSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-4-16-8-9-21(36-13-17-6-7-17)18(10-16)24-26-25(29-14-28-24)23(15(3)30-26)27(35)31-19-11-32(12-20(19)33)22(34)5-2/h8-10,14,17,19-20,30,33H,4-7,11-13H2,1-3H3,(H,31,35)/t19-,20-/m1/s1.
What are the key properties of 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-5-ethylphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67956449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).