[3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate

C21H23ClN8O4 — CID 155103022

IUPAC[3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(Cl)nc2c(C(=O)NC(C)COCc3cc(N)c4cnn(C)c4c3)cnn12
InChIInChI=1S/C21H23ClN8O4/c1-11(9-33-10-12-4-15(23)13-7-25-29(3)16(13)5-12)27-20(31)14-8-26-30-18(34-21(32)24-2)6-17(22)28-19(14)30/h4-8,11H,9-10,23H2,1-3H3,(H,24,32)(H,27,31)
InChIKeyDBAMVILUUYWAKP-UHFFFAOYSA-N
MW486.92 g/mol
LogP1.90
Rot. Bonds7

About [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate

[3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate (PubChem CID 155103022) has the molecular formula C21H23ClN8O4 and a molecular weight of 486.92 g/mol. Its IUPAC name is [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate.

Molecular Properties

Compound Name[3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate
PubChem CID155103022
Molecular FormulaC21H23ClN8O4
Molecular Weight486.92 g/mol
Exact Mass486.15
IUPAC Name[3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(Cl)nc2c(C(=O)NC(C)COCc3cc(N)c4cnn(C)c4c3)cnn12
InChIInChI=1S/C21H23ClN8O4/c1-11(9-33-10-12-4-15(23)13-7-25-29(3)16(13)5-12)27-20(31)14-8-26-30-18(34-21(32)24-2)6-17(22)28-19(14)30/h4-8,11H,9-10,23H2,1-3H3,(H,24,32)(H,27,31)
InChIKeyDBAMVILUUYWAKP-UHFFFAOYSA-N
XLogP1.90
TPSA150.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.92
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate?
The IUPAC name of [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate (CID 155103022) is [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate.
What is the SMILES notation for [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate?
The canonical SMILES for [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate is CNC(=O)Oc1cc(Cl)nc2c(C(=O)NC(C)COCc3cc(N)c4cnn(C)c4c3)cnn12.
What is the InChIKey of [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate?
The InChIKey is DBAMVILUUYWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN8O4/c1-11(9-33-10-12-4-15(23)13-7-25-29(3)16(13)5-12)27-20(31)14-8-26-30-18(34-21(32)24-2)6-17(22)28-19(14)30/h4-8,11H,9-10,23H2,1-3H3,(H,24,32)(H,27,31).
What are the key properties of [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate?
[3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate has a molecular weight of 486.92 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(4-amino-1-methylindazol-6-yl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl] N-methylcarbamate is sourced from PubChem (CID 155103022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).