5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20ClN7O3 — CID 137449133

IUPAC5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cnc2OC2CC(OC)C2)nc2c(C(N)=O)cnn12
InChIInChI=1S/C18H20ClN7O3/c1-21-15-6-14(25-17-12(16(20)27)8-23-26(15)17)24-13-3-9(19)7-22-18(13)29-11-4-10(5-11)28-2/h3,6-8,10-11,21H,4-5H2,1-2H3,(H2,20,27)(H,24,25)
InChIKeyQZVPJJMDHUBJAK-UHFFFAOYSA-N
MW417.86 g/mol
LogP2.22
Rot. Bonds7

About 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449133) has the molecular formula C18H20ClN7O3 and a molecular weight of 417.86 g/mol. Its IUPAC name is 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449133
Molecular FormulaC18H20ClN7O3
Molecular Weight417.86 g/mol
Exact Mass417.13
IUPAC Name5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cnc2OC2CC(OC)C2)nc2c(C(N)=O)cnn12
InChIInChI=1S/C18H20ClN7O3/c1-21-15-6-14(25-17-12(16(20)27)8-23-26(15)17)24-13-3-9(19)7-22-18(13)29-11-4-10(5-11)28-2/h3,6-8,10-11,21H,4-5H2,1-2H3,(H2,20,27)(H,24,25)
InChIKeyQZVPJJMDHUBJAK-UHFFFAOYSA-N
XLogP2.22
TPSA128.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449133) is 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cnc2OC2CC(OC)C2)nc2c(C(N)=O)cnn12.
What is the InChIKey of 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QZVPJJMDHUBJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O3/c1-21-15-6-14(25-17-12(16(20)27)8-23-26(15)17)24-13-3-9(19)7-22-18(13)29-11-4-10(5-11)28-2/h3,6-8,10-11,21H,4-5H2,1-2H3,(H2,20,27)(H,24,25).
What are the key properties of 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 417.86 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).