N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide

C21H25N7O2 — CID 25208108

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCC[C@H]2COc2ccccn2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C21H25N7O2/c1-14-11-15(2)28(26-14)21-24-18(23-16(3)29)12-19(25-21)27-10-6-7-17(27)13-30-20-8-4-5-9-22-20/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,23,24,25,29)/t17-/m0/s1
InChIKeyMDXHAAVALMQUQH-KRWDZBQOSA-N
MW407.48 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide (PubChem CID 25208108) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
PubChem CID25208108
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCC[C@H]2COc2ccccn2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C21H25N7O2/c1-14-11-15(2)28(26-14)21-24-18(23-16(3)29)12-19(25-21)27-10-6-7-17(27)13-30-20-8-4-5-9-22-20/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,23,24,25,29)/t17-/m0/s1
InChIKeyMDXHAAVALMQUQH-KRWDZBQOSA-N
XLogP2.68
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide (CID 25208108) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(N2CCC[C@H]2COc2ccccn2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The InChIKey is MDXHAAVALMQUQH-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-14-11-15(2)28(26-14)21-24-18(23-16(3)29)12-19(25-21)27-10-6-7-17(27)13-30-20-8-4-5-9-22-20/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,23,24,25,29)/t17-/m0/s1.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide has a molecular weight of 407.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25208108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).