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

C22H24FN5O3 — CID 67956871

IUPAC4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CNC[C@H]1O
InChIInChI=1S/C22H24FN5O3/c1-11-18(22(30)28-15-7-24-8-16(15)29)20-21(27-11)19(25-10-26-20)14-5-4-13(23)6-17(14)31-9-12-2-3-12/h4-6,10,12,15-16,24,27,29H,2-3,7-9H2,1H3,(H,28,30)/t15-,16-/m1/s1
InChIKeyYFWNJCDSXXHWJH-HZPDHXFCSA-N
MW425.46 g/mol
LogP1.92
Rot. Bonds6

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

4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 67956871) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID67956871
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CNC[C@H]1O
InChIInChI=1S/C22H24FN5O3/c1-11-18(22(30)28-15-7-24-8-16(15)29)20-21(27-11)19(25-10-26-20)14-5-4-13(23)6-17(14)31-9-12-2-3-12/h4-6,10,12,15-16,24,27,29H,2-3,7-9H2,1H3,(H,28,30)/t15-,16-/m1/s1
InChIKeyYFWNJCDSXXHWJH-HZPDHXFCSA-N
XLogP1.92
TPSA112.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 67956871) is 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CNC[C@H]1O.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is YFWNJCDSXXHWJH-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-11-18(22(30)28-15-7-24-8-16(15)29)20-21(27-11)19(25-10-26-20)14-5-4-13(23)6-17(14)31-9-12-2-3-12/h4-6,10,12,15-16,24,27,29H,2-3,7-9H2,1H3,(H,28,30)/t15-,16-/m1/s1.
What are the key properties of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67956871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).