N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H24FN7O3 — CID 137449348

IUPACN-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cnc2OCCOC)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C20H24FN7O3/c1-22-17-9-16(26-15-8-12(21)10-23-20(15)31-7-6-30-2)27-18-14(11-24-28(17)18)19(29)25-13-4-3-5-13/h8-11,13,22H,3-7H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyHCCSMKUEMCGEFF-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.36
Rot. Bonds9

About N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449348) has the molecular formula C20H24FN7O3 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449348
Molecular FormulaC20H24FN7O3
Molecular Weight429.46 g/mol
Exact Mass429.19
IUPAC NameN-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cnc2OCCOC)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C20H24FN7O3/c1-22-17-9-16(26-15-8-12(21)10-23-20(15)31-7-6-30-2)27-18-14(11-24-28(17)18)19(29)25-13-4-3-5-13/h8-11,13,22H,3-7H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyHCCSMKUEMCGEFF-UHFFFAOYSA-N
XLogP2.36
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449348) is N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cnc2OCCOC)nc2c(C(=O)NC3CCC3)cnn12.
What is the InChIKey of N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HCCSMKUEMCGEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O3/c1-22-17-9-16(26-15-8-12(21)10-23-20(15)31-7-6-30-2)27-18-14(11-24-28(17)18)19(29)25-13-4-3-5-13/h8-11,13,22H,3-7H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 2.36, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).