1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide

C26H30N6O2 — CID 123593472

IUPAC1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(C)(C)OCN1CCC(n2nc(C(N)=O)c3ccc4cnc(-c5ccccc5)nc4c32)CC1
InChIInChI=1S/C26H30N6O2/c1-26(2,3)34-16-31-13-11-19(12-14-31)32-23-20(22(30-32)24(27)33)10-9-18-15-28-25(29-21(18)23)17-7-5-4-6-8-17/h4-10,15,19H,11-14,16H2,1-3H3,(H2,27,33)
InChIKeyJRBBEGHSEZZRRT-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.15
Rot. Bonds5

About 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide

1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 123593472) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID123593472
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(C)(C)OCN1CCC(n2nc(C(N)=O)c3ccc4cnc(-c5ccccc5)nc4c32)CC1
InChIInChI=1S/C26H30N6O2/c1-26(2,3)34-16-31-13-11-19(12-14-31)32-23-20(22(30-32)24(27)33)10-9-18-15-28-25(29-21(18)23)17-7-5-4-6-8-17/h4-10,15,19H,11-14,16H2,1-3H3,(H2,27,33)
InChIKeyJRBBEGHSEZZRRT-UHFFFAOYSA-N
XLogP4.15
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide (CID 123593472) is 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide is CC(C)(C)OCN1CCC(n2nc(C(N)=O)c3ccc4cnc(-c5ccccc5)nc4c32)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is JRBBEGHSEZZRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-26(2,3)34-16-31-13-11-19(12-14-31)32-23-20(22(30-32)24(27)33)10-9-18-15-28-25(29-21(18)23)17-7-5-4-6-8-17/h4-10,15,19H,11-14,16H2,1-3H3,(H2,27,33).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide?
1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 123593472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).