N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide

C24H30FN7O2 — CID 67052019

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CC[C@@H](N4CC[C@@H](F)C4)C3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C24H30FN7O2/c1-15-10-16(2)32(29-15)22-11-21(27-24(28-22)20-5-4-17(3)34-20)26-23(33)14-30-8-7-19(13-30)31-9-6-18(25)12-31/h4-5,10-11,18-19H,6-9,12-14H2,1-3H3,(H,26,27,28,33)/t18-,19-/m1/s1
InChIKeyGGOZHPOGJWKRJQ-RTBURBONSA-N
MW467.55 g/mol
LogP2.90
Rot. Bonds6

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide (PubChem CID 67052019) has the molecular formula C24H30FN7O2 and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide
PubChem CID67052019
Molecular FormulaC24H30FN7O2
Molecular Weight467.55 g/mol
Exact Mass467.24
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CC[C@@H](N4CC[C@@H](F)C4)C3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C24H30FN7O2/c1-15-10-16(2)32(29-15)22-11-21(27-24(28-22)20-5-4-17(3)34-20)26-23(33)14-30-8-7-19(13-30)31-9-6-18(25)12-31/h4-5,10-11,18-19H,6-9,12-14H2,1-3H3,(H,26,27,28,33)/t18-,19-/m1/s1
InChIKeyGGOZHPOGJWKRJQ-RTBURBONSA-N
XLogP2.90
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.90
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-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide with MolForge

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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-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide (CID 67052019) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-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-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide is Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@@H](N4CC[C@@H](F)C4)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-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is GGOZHPOGJWKRJQ-RTBURBONSA-N. The full InChI is InChI=1S/C24H30FN7O2/c1-15-10-16(2)32(29-15)22-11-21(27-24(28-22)20-5-4-17(3)34-20)26-23(33)14-30-8-7-19(13-30)31-9-6-18(25)12-31/h4-5,10-11,18-19H,6-9,12-14H2,1-3H3,(H,26,27,28,33)/t18-,19-/m1/s1.
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 467.55 g/mol, XLogP of 2.90, 6 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-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 67052019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).