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

C26H31N5O5 — CID 67956080

IUPAC4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-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(-c4ccc(OC)cc4OCC4CC4)ncnc23)C1
InChIInChI=1S/C26H31N5O5/c1-4-21(33)31-10-18(19(32)11-31)30-26(34)22-14(2)29-25-23(27-13-28-24(22)25)17-8-7-16(35-3)9-20(17)36-12-15-5-6-15/h7-9,13,15,18-19,29,32H,4-6,10-12H2,1-3H3,(H,30,34)/t18-,19-/m1/s1
InChIKeyPEQLKVVTENLCPK-RTBURBONSA-N
MW493.56 g/mol
LogP2.44
Rot. Bonds8

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

4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 67956080) has the molecular formula C26H31N5O5 and a molecular weight of 493.56 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-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)-4-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID67956080
Molecular FormulaC26H31N5O5
Molecular Weight493.56 g/mol
Exact Mass493.23
IUPAC Name4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-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(-c4ccc(OC)cc4OCC4CC4)ncnc23)C1
InChIInChI=1S/C26H31N5O5/c1-4-21(33)31-10-18(19(32)11-31)30-26(34)22-14(2)29-25-23(27-13-28-24(22)25)17-8-7-16(35-3)9-20(17)36-12-15-5-6-15/h7-9,13,15,18-19,29,32H,4-6,10-12H2,1-3H3,(H,30,34)/t18-,19-/m1/s1
InChIKeyPEQLKVVTENLCPK-RTBURBONSA-N
XLogP2.44
TPSA129.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956331
4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride
CID 67957661
4-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67033990
4-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3S,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67957946
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3S)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 50992058
tert-butyl (3R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]pyrrolidine-1-carboxylate
CID 67955258
4-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67033269
4-[2-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]-N-[(3S,4S)-4-fluoro-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956298
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-6-methyl-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 50991975
4-[2-(cyclopropylmethoxy)-4-fluoro-5-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67032938
4-[6-(cyclopropylmethoxy)-2-fluoro-3-methylphenyl]-N-[(3S,4S)-4-fluoro-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956043

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-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)-4-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 67956080) is 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-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)-4-methoxyphenyl]-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)-4-methoxyphenyl]-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(-c4ccc(OC)cc4OCC4CC4)ncnc23)C1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is PEQLKVVTENLCPK-RTBURBONSA-N. The full InChI is InChI=1S/C26H31N5O5/c1-4-21(33)31-10-18(19(32)11-31)30-26(34)22-14(2)29-25-23(27-13-28-24(22)25)17-8-7-16(35-3)9-20(17)36-12-15-5-6-15/h7-9,13,15,18-19,29,32H,4-6,10-12H2,1-3H3,(H,30,34)/t18-,19-/m1/s1.
What are the key properties of 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67956080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).