2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H23ClN8O2 — CID 90199765

IUPAC2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC1CN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CCN1C
InChIInChI=1S/C19H23ClN8O2/c1-26-5-6-27(10-13(26)11-30-2)15-3-4-22-8-14(15)24-19(29)16-17(21)25-28-9-12(20)7-23-18(16)28/h3-4,7-9,13H,5-6,10-11H2,1-2H3,(H2,21,25)(H,24,29)
InChIKeyDJSKPFWXPKLEIX-UHFFFAOYSA-N
MW430.90 g/mol
LogP1.38
Rot. Bonds5

About 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199765) has the molecular formula C19H23ClN8O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199765
Molecular FormulaC19H23ClN8O2
Molecular Weight430.90 g/mol
Exact Mass430.16
IUPAC Name2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC1CN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CCN1C
InChIInChI=1S/C19H23ClN8O2/c1-26-5-6-27(10-13(26)11-30-2)15-3-4-22-8-14(15)24-19(29)16-17(21)25-28-9-12(20)7-23-18(16)28/h3-4,7-9,13H,5-6,10-11H2,1-2H3,(H2,21,25)(H,24,29)
InChIKeyDJSKPFWXPKLEIX-UHFFFAOYSA-N
XLogP1.38
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199765) is 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC1CN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CCN1C.
What is the InChIKey of 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DJSKPFWXPKLEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN8O2/c1-26-5-6-27(10-13(26)11-30-2)15-3-4-22-8-14(15)24-19(29)16-17(21)25-28-9-12(20)7-23-18(16)28/h3-4,7-9,13H,5-6,10-11H2,1-2H3,(H2,21,25)(H,24,29).
What are the key properties of 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.90 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).