N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23N7O2 — CID 125023570

IUPACN,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCC[C@H](c3ccnc4c(C(=O)N(C)C)cnn34)C2)cn1
InChIInChI=1S/C20H23N7O2/c1-13-9-23-16(11-22-13)20(29)26-8-4-5-14(12-26)17-6-7-21-18-15(10-24-27(17)18)19(28)25(2)3/h6-7,9-11,14H,4-5,8,12H2,1-3H3/t14-/m0/s1
InChIKeyYZDHCJSEAGZNPG-AWEZNQCLSA-N
MW393.45 g/mol
LogP1.55
Rot. Bonds3

About N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 125023570) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID125023570
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCC[C@H](c3ccnc4c(C(=O)N(C)C)cnn34)C2)cn1
InChIInChI=1S/C20H23N7O2/c1-13-9-23-16(11-22-13)20(29)26-8-4-5-14(12-26)17-6-7-21-18-15(10-24-27(17)18)19(28)25(2)3/h6-7,9-11,14H,4-5,8,12H2,1-3H3/t14-/m0/s1
InChIKeyYZDHCJSEAGZNPG-AWEZNQCLSA-N
XLogP1.55
TPSA96.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 125023570) is N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc(C(=O)N2CCC[C@H](c3ccnc4c(C(=O)N(C)C)cnn34)C2)cn1.
What is the InChIKey of N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YZDHCJSEAGZNPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-9-23-16(11-22-13)20(29)26-8-4-5-14(12-26)17-6-7-21-18-15(10-24-27(17)18)19(28)25(2)3/h6-7,9-11,14H,4-5,8,12H2,1-3H3/t14-/m0/s1.
What are the key properties of N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 125023570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).