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

C20H23ClN8O2 — CID 90199816

IUPAC2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(N2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)COC1
InChIInChI=1S/C20H23ClN8O2/c1-20(11-31-12-20)28-6-4-27(5-7-28)15-2-3-23-9-14(15)25-19(30)16-17(22)26-29-10-13(21)8-24-18(16)29/h2-3,8-10H,4-7,11-12H2,1H3,(H2,22,26)(H,25,30)
InChIKeyLUARVFWJZJVVTR-UHFFFAOYSA-N
MW442.91 g/mol
LogP1.52
Rot. Bonds4

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

2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199816) has the molecular formula C20H23ClN8O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199816
Molecular FormulaC20H23ClN8O2
Molecular Weight442.91 g/mol
Exact Mass442.16
IUPAC Name2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(N2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)COC1
InChIInChI=1S/C20H23ClN8O2/c1-20(11-31-12-20)28-6-4-27(5-7-28)15-2-3-23-9-14(15)25-19(30)16-17(22)26-29-10-13(21)8-24-18(16)29/h2-3,8-10H,4-7,11-12H2,1H3,(H2,22,26)(H,25,30)
InChIKeyLUARVFWJZJVVTR-UHFFFAOYSA-N
XLogP1.52
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 51.52
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-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199816) is 2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(N2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)COC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LUARVFWJZJVVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN8O2/c1-20(11-31-12-20)28-6-4-27(5-7-28)15-2-3-23-9-14(15)25-19(30)16-17(22)26-29-10-13(21)8-24-18(16)29/h2-3,8-10H,4-7,11-12H2,1H3,(H2,22,26)(H,25,30).
What are the key properties of 2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.91 g/mol, XLogP of 1.52, 4 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-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).