1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide

C18H20N7OP — CID 126546297

IUPAC1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cnc(NCC3(c4ncccc4P)CCC3)nc2)c1
InChIInChI=1S/C18H20N7OP/c19-16(26)12-7-24-25(10-12)13-8-21-17(22-9-13)23-11-18(4-2-5-18)15-14(27)3-1-6-20-15/h1,3,6-10H,2,4-5,11,27H2,(H2,19,26)(H,21,22,23)
InChIKeyVQHNCICDJHENIX-UHFFFAOYSA-N
MW381.38 g/mol
LogP1.19
Rot. Bonds6

About 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide

1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide (PubChem CID 126546297) has the molecular formula C18H20N7OP and a molecular weight of 381.38 g/mol. Its IUPAC name is 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide
PubChem CID126546297
Molecular FormulaC18H20N7OP
Molecular Weight381.38 g/mol
Exact Mass381.15
IUPAC Name1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cnc(NCC3(c4ncccc4P)CCC3)nc2)c1
InChIInChI=1S/C18H20N7OP/c19-16(26)12-7-24-25(10-12)13-8-21-17(22-9-13)23-11-18(4-2-5-18)15-14(27)3-1-6-20-15/h1,3,6-10H,2,4-5,11,27H2,(H2,19,26)(H,21,22,23)
InChIKeyVQHNCICDJHENIX-UHFFFAOYSA-N
XLogP1.19
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
CID 71268097
4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974823
2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 64782904
1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
CID 64781605
1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide
CID 80631963
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868515
3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-(hydroxymethyl)benzamide
CID 67460243
4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide
CID 71469152
1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 64782726
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide
CID 83127750
ethyl 1-methyl-4-[[6-[[1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridine-3-carbonyl]amino]imidazole-2-carboxylate
CID 123914712
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868430

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide (CID 126546297) is 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(-c2cnc(NCC3(c4ncccc4P)CCC3)nc2)c1.
What is the InChIKey of 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide?
The InChIKey is VQHNCICDJHENIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N7OP/c19-16(26)12-7-24-25(10-12)13-8-21-17(22-9-13)23-11-18(4-2-5-18)15-14(27)3-1-6-20-15/h1,3,6-10H,2,4-5,11,27H2,(H2,19,26)(H,21,22,23).
What are the key properties of 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide?
1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126546297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).