5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C18H20FN7O3 — CID 146530999

IUPAC5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNC1(CNc2ncc(F)cc2C(CO)Nc2ccn3ncc(C(=O)O)c3n2)CC1
InChIInChI=1S/C18H20FN7O3/c19-10-5-11(15(21-6-10)22-9-18(20)2-3-18)13(8-27)24-14-1-4-26-16(25-14)12(7-23-26)17(28)29/h1,4-7,13,27H,2-3,8-9,20H2,(H,21,22)(H,24,25)(H,28,29)
InChIKeyFIQFUBRQFWDOBI-UHFFFAOYSA-N
MW401.40 g/mol
LogP1.01
Rot. Bonds8

About 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 146530999) has the molecular formula C18H20FN7O3 and a molecular weight of 401.40 g/mol. Its IUPAC name is 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID146530999
Molecular FormulaC18H20FN7O3
Molecular Weight401.40 g/mol
Exact Mass401.16
IUPAC Name5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNC1(CNc2ncc(F)cc2C(CO)Nc2ccn3ncc(C(=O)O)c3n2)CC1
InChIInChI=1S/C18H20FN7O3/c19-10-5-11(15(21-6-10)22-9-18(20)2-3-18)13(8-27)24-14-1-4-26-16(25-14)12(7-23-26)17(28)29/h1,4-7,13,27H,2-3,8-9,20H2,(H,21,22)(H,24,25)(H,28,29)
InChIKeyFIQFUBRQFWDOBI-UHFFFAOYSA-N
XLogP1.01
TPSA150.69 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 51.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 146530999) is 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is NC1(CNc2ncc(F)cc2C(CO)Nc2ccn3ncc(C(=O)O)c3n2)CC1.
What is the InChIKey of 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is FIQFUBRQFWDOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O3/c19-10-5-11(15(21-6-10)22-9-18(20)2-3-18)13(8-27)24-14-1-4-26-16(25-14)12(7-23-26)17(28)29/h1,4-7,13,27H,2-3,8-9,20H2,(H,21,22)(H,24,25)(H,28,29).
What are the key properties of 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 401.40 g/mol, XLogP of 1.01, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[2-[(1-aminocyclopropyl)methylamino]-5-fluoro-3-pyridinyl]-2-hydroxyethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 146530999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).