N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide

C21H21N9O2 — CID 122667439

IUPACN-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESN#CCC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(C(=O)C2CC2)C1
InChIInChI=1S/C21H21N9O2/c22-7-6-21(11-28(12-21)19(32)14-3-4-14)29-10-15(9-24-29)17-23-8-5-16-25-20(27-30(16)17)26-18(31)13-1-2-13/h5,8-10,13-14H,1-4,6,11-12H2,(H,26,27,31)
InChIKeyPRSMNFROTXTUED-UHFFFAOYSA-N
MW431.46 g/mol
LogP1.20
Rot. Bonds6

About N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide

N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 122667439) has the molecular formula C21H21N9O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
PubChem CID122667439
Molecular FormulaC21H21N9O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC NameN-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESN#CCC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(C(=O)C2CC2)C1
InChIInChI=1S/C21H21N9O2/c22-7-6-21(11-28(12-21)19(32)14-3-4-14)29-10-15(9-24-29)17-23-8-5-16-25-20(27-30(16)17)26-18(31)13-1-2-13/h5,8-10,13-14H,1-4,6,11-12H2,(H,26,27,31)
InChIKeyPRSMNFROTXTUED-UHFFFAOYSA-N
XLogP1.20
TPSA134.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide (CID 122667439) is N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide is N#CCC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(C(=O)C2CC2)C1.
What is the InChIKey of N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The InChIKey is PRSMNFROTXTUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O2/c22-7-6-21(11-28(12-21)19(32)14-3-4-14)29-10-15(9-24-29)17-23-8-5-16-25-20(27-30(16)17)26-18(31)13-1-2-13/h5,8-10,13-14H,1-4,6,11-12H2,(H,26,27,31).
What are the key properties of N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide has a molecular weight of 431.46 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(cyanomethyl)-1-(cyclopropanecarbonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 122667439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).