2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H33FN8O2 — CID 137184317

IUPAC2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCN1CCN(C2CCNCC2NC(=O)c2c(N)nn3c2NCC(F)C3)CC1
InChIInChI=1S/C19H33FN8O2/c1-30-9-8-26-4-6-27(7-5-26)15-2-3-22-11-14(15)24-19(29)16-17(21)25-28-12-13(20)10-23-18(16)28/h13-15,22-23H,2-12H2,1H3,(H2,21,25)(H,24,29)
InChIKeyWJCCRRHXURZAEE-UHFFFAOYSA-N
MW424.53 g/mol
LogP-1.05
Rot. Bonds6

About 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137184317) has the molecular formula C19H33FN8O2 and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137184317
Molecular FormulaC19H33FN8O2
Molecular Weight424.53 g/mol
Exact Mass424.27
IUPAC Name2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCN1CCN(C2CCNCC2NC(=O)c2c(N)nn3c2NCC(F)C3)CC1
InChIInChI=1S/C19H33FN8O2/c1-30-9-8-26-4-6-27(7-5-26)15-2-3-22-11-14(15)24-19(29)16-17(21)25-28-12-13(20)10-23-18(16)28/h13-15,22-23H,2-12H2,1H3,(H2,21,25)(H,24,29)
InChIKeyWJCCRRHXURZAEE-UHFFFAOYSA-N
XLogP-1.05
TPSA112.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137184317) is 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COCCN1CCN(C2CCNCC2NC(=O)c2c(N)nn3c2NCC(F)C3)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WJCCRRHXURZAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FN8O2/c1-30-9-8-26-4-6-27(7-5-26)15-2-3-22-11-14(15)24-19(29)16-17(21)25-28-12-13(20)10-23-18(16)28/h13-15,22-23H,2-12H2,1H3,(H2,21,25)(H,24,29).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137184317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).