N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide

C23H30N6O3 — CID 24768427

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](OC(C)C)C3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C23H30N6O3/c1-14(2)31-18-8-9-28(12-18)13-22(30)24-20-11-21(29-16(4)10-15(3)27-29)26-23(25-20)19-7-6-17(5)32-19/h6-7,10-11,14,18H,8-9,12-13H2,1-5H3,(H,24,25,26,30)/t18-/m0/s1
InChIKeyKGHBKXALSJLZKK-SFHVURJKSA-N
MW438.53 g/mol
LogP3.29
Rot. Bonds7

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide (PubChem CID 24768427) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide
PubChem CID24768427
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](OC(C)C)C3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C23H30N6O3/c1-14(2)31-18-8-9-28(12-18)13-22(30)24-20-11-21(29-16(4)10-15(3)27-29)26-23(25-20)19-7-6-17(5)32-19/h6-7,10-11,14,18H,8-9,12-13H2,1-5H3,(H,24,25,26,30)/t18-/m0/s1
InChIKeyKGHBKXALSJLZKK-SFHVURJKSA-N
XLogP3.29
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide 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 N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide (CID 24768427) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide is Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](OC(C)C)C3)nc(-c3ccc(C)o3)n2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide?
The InChIKey is KGHBKXALSJLZKK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-14(2)31-18-8-9-28(12-18)13-22(30)24-20-11-21(29-16(4)10-15(3)27-29)26-23(25-20)19-7-6-17(5)32-19/h6-7,10-11,14,18H,8-9,12-13H2,1-5H3,(H,24,25,26,30)/t18-/m0/s1.
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide has a molecular weight of 438.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 24768427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).