4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride

C23H28ClN5O4 — CID 67957661

About 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride

4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride (PubChem CID 67957661) has the molecular formula C23H28ClN5O4 and a molecular weight of 473.96 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride
• PubChem CID: 67957661
• Molecular Formula: C23H28ClN5O4
• Molecular Weight: 473.96 g/mol
• Exact Mass: 473.18
• IUPAC Name: 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride
• SMILES: COc1ccc(-c2ncnc3c(C(=O)N[C@@H]4CNC[C@@H]4O)c(C)[nH]c23)c(OCC2CC2)c1.Cl
• InChI: InChI=1S/C23H27N5O4.ClH/c1-12-19(23(30)28-16-8-24-9-17(16)29)21-22(27-12)20(25-11-26-21)15-6-5-14(31-2)7-18(15)32-10-13-3-4-13;/h5-7,11,13,16-17,24,27,29H,3-4,8-10H2,1-2H3,(H,28,30);1H/t16-,17+;/m1./s1
• InChIKey: NRAUEDVCRSERQS-PPPUBMIESA-N
• XLogP: 2.22
• TPSA: 121.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.96
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride?

The IUPAC name of 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) is 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride.

What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride?

The canonical SMILES for 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride is COc1ccc(-c2ncnc3c(C(=O)N[C@@H]4CNC[C@@H]4O)c(C)[nH]c23)c(OCC2CC2)c1.Cl.

What is the InChIKey of 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride?

The InChIKey is NRAUEDVCRSERQS-PPPUBMIESA-N. The full InChI is InChI=1S/C23H27N5O4.ClH/c1-12-19(23(30)28-16-8-24-9-17(16)29)21-22(27-12)20(25-11-26-21)15-6-5-14(31-2)7-18(15)32-10-13-3-4-13;/h5-7,11,13,16-17,24,27,29H,3-4,8-10H2,1-2H3,(H,28,30);1H/t16-,17+;/m1./s1.

What are the key properties of 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride?

4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride has a molecular weight of 473.96 g/mol, XLogP of 2.22, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;hydrochloride is sourced from PubChem (CID 67957661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).