(2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

C23H24N4O2 — CID 135101723

IUPAC(2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12
InChIInChI=1S/C23H24N4O2/c28-22(16-13-24-21(25-14-16)15-5-6-15)27-10-8-23(9-11-27)20-18(7-12-29-23)17-3-1-2-4-19(17)26-20/h1-4,13-15,26H,5-12H2
InChIKeyNYZXORCZHCXDTP-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.54
Rot. Bonds2

About (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

(2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (PubChem CID 135101723) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
PubChem CID135101723
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12
InChIInChI=1S/C23H24N4O2/c28-22(16-13-24-21(25-14-16)15-5-6-15)27-10-8-23(9-11-27)20-18(7-12-29-23)17-3-1-2-4-19(17)26-20/h1-4,13-15,26H,5-12H2
InChIKeyNYZXORCZHCXDTP-UHFFFAOYSA-N
XLogP3.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-3-pyridinyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 163310377
oxolan-3-yl(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 135091683
[(2S)-piperidin-2-yl]-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone;hydrochloride
CID 154918485
(3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 135120527
1-[5-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135119539
(2,3-dimethylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 135094809
(2-morpholin-4-ylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 162632741
morpholin-4-yl-(6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrazin-2-yl)methanone
CID 164692746
2-(2-methylphenyl)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 135101019
1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one
CID 162632892
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173
(2S)-2-(methylamino)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one;hydrochloride
CID 154915929

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (CID 135101723) is (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is O=C(c1cnc(C2CC2)nc1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is NYZXORCZHCXDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(16-13-24-21(25-14-16)15-5-6-15)27-10-8-23(9-11-27)20-18(7-12-29-23)17-3-1-2-4-19(17)26-20/h1-4,13-15,26H,5-12H2.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
(2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 388.47 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 135101723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).