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

C18H17Cl2N9O2 — CID 118540204

IUPAC1-[2-chloro-7-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESCOC[C@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12
InChIInChI=1S/C18H17Cl2N9O2/c1-10(9-31-2)16-13(8-21-15-6-14(20)27-28(15)16)26-18(30)25-11-5-12(19)17(22-7-11)29-23-3-4-24-29/h3-8,10H,9H2,1-2H3,(H2,25,26,30)/t10-/m0/s1
InChIKeyUVZQMAUOFCDPAQ-JTQLQIEISA-N
MW462.30 g/mol
LogP3.41
Rot. Bonds6

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

1-[2-chloro-7-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea (PubChem CID 118540204) has the molecular formula C18H17Cl2N9O2 and a molecular weight of 462.30 g/mol. Its IUPAC name is 1-[2-chloro-7-[(2R)-1-methoxypropan-2-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-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
PubChem CID118540204
Molecular FormulaC18H17Cl2N9O2
Molecular Weight462.30 g/mol
Exact Mass461.09
IUPAC Name1-[2-chloro-7-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESCOC[C@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12
InChIInChI=1S/C18H17Cl2N9O2/c1-10(9-31-2)16-13(8-21-15-6-14(20)27-28(15)16)26-18(30)25-11-5-12(19)17(22-7-11)29-23-3-4-24-29/h3-8,10H,9H2,1-2H3,(H2,25,26,30)/t10-/m0/s1
InChIKeyUVZQMAUOFCDPAQ-JTQLQIEISA-N
XLogP3.41
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-[(2R)-1-methoxypropan-2-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-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea (CID 118540204) is 1-[2-chloro-7-[(2R)-1-methoxypropan-2-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-[(2R)-1-methoxypropan-2-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-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea is COC[C@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12.
What is the InChIKey of 1-[2-chloro-7-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The InChIKey is UVZQMAUOFCDPAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17Cl2N9O2/c1-10(9-31-2)16-13(8-21-15-6-14(20)27-28(15)16)26-18(30)25-11-5-12(19)17(22-7-11)29-23-3-4-24-29/h3-8,10H,9H2,1-2H3,(H2,25,26,30)/t10-/m0/s1.
What are the key properties of 1-[2-chloro-7-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
1-[2-chloro-7-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea has a molecular weight of 462.30 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-[(2R)-1-methoxypropan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 118540204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).