9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one

C29H37N7O2 — CID 155573075

IUPAC9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one
SMILESC[C@@H]1CN(c2c(=O)n(C)n3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)nc5)cc4c23)C[C@H](C)O1
InChIInChI=1S/C29H37N7O2/c1-19-16-35(17-20(2)38-19)28-27-24-14-21(6-8-25(24)31-18-36(27)33(5)29(28)37)22-7-9-26(30-15-22)34-12-10-23(11-13-34)32(3)4/h6-9,14-15,18-20,23H,10-13,16-17H2,1-5H3/t19-,20+
InChIKeyDTONLIPVBWLONB-BGYRXZFFSA-N
MW515.66 g/mol
LogP3.39
Rot. Bonds4

About 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one

9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one (PubChem CID 155573075) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one.

Molecular Properties

Compound Name9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one
PubChem CID155573075
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC Name9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one
SMILESC[C@@H]1CN(c2c(=O)n(C)n3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)nc5)cc4c23)C[C@H](C)O1
InChIInChI=1S/C29H37N7O2/c1-19-16-35(17-20(2)38-19)28-27-24-14-21(6-8-25(24)31-18-36(27)33(5)29(28)37)22-7-9-26(30-15-22)34-12-10-23(11-13-34)32(3)4/h6-9,14-15,18-20,23H,10-13,16-17H2,1-5H3/t19-,20+
InChIKeyDTONLIPVBWLONB-BGYRXZFFSA-N
XLogP3.39
TPSA71.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one?
The IUPAC name of 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one (CID 155573075) is 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one.
What is the SMILES notation for 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one?
The canonical SMILES for 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one is C[C@@H]1CN(c2c(=O)n(C)n3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)nc5)cc4c23)C[C@H](C)O1.
What is the InChIKey of 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one?
The InChIKey is DTONLIPVBWLONB-BGYRXZFFSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-19-16-35(17-20(2)38-19)28-27-24-14-21(6-8-25(24)31-18-36(27)33(5)29(28)37)22-7-9-26(30-15-22)34-12-10-23(11-13-34)32(3)4/h6-9,14-15,18-20,23H,10-13,16-17H2,1-5H3/t19-,20+.
What are the key properties of 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one?
9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one has a molecular weight of 515.66 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one is sourced from PubChem (CID 155573075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).