1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea

C19H18Cl2N10O2 — CID 118540047

IUPAC1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESCN1CCOCC1c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12
InChIInChI=1S/C19H18Cl2N10O2/c1-29-4-5-33-10-14(29)17-13(9-22-16-7-15(21)28-30(16)17)27-19(32)26-11-6-12(20)18(23-8-11)31-24-2-3-25-31/h2-3,6-9,14H,4-5,10H2,1H3,(H2,26,27,32)
InChIKeyMJNXJWSWAMVRDT-UHFFFAOYSA-N
MW489.33 g/mol
LogP2.66
Rot. Bonds4

About 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea

1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea (PubChem CID 118540047) has the molecular formula C19H18Cl2N10O2 and a molecular weight of 489.33 g/mol. Its IUPAC name is 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
PubChem CID118540047
Molecular FormulaC19H18Cl2N10O2
Molecular Weight489.33 g/mol
Exact Mass488.10
IUPAC Name1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESCN1CCOCC1c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12
InChIInChI=1S/C19H18Cl2N10O2/c1-29-4-5-33-10-14(29)17-13(9-22-16-7-15(21)28-30(16)17)27-19(32)26-11-6-12(20)18(23-8-11)31-24-2-3-25-31/h2-3,6-9,14H,4-5,10H2,1H3,(H2,26,27,32)
InChIKeyMJNXJWSWAMVRDT-UHFFFAOYSA-N
XLogP2.66
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The IUPAC name of 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea (CID 118540047) is 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea is CN1CCOCC1c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12.
What is the InChIKey of 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The InChIKey is MJNXJWSWAMVRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N10O2/c1-29-4-5-33-10-14(29)17-13(9-22-16-7-15(21)28-30(16)17)27-19(32)26-11-6-12(20)18(23-8-11)31-24-2-3-25-31/h2-3,6-9,14H,4-5,10H2,1H3,(H2,26,27,32).
What are the key properties of 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea has a molecular weight of 489.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-(4-methylmorpholin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 118540047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).