(1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C22H27N7 — CID 175822814

IUPAC(1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(C1=NNCC1)c1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(N)n1
InChIInChI=1S/C22H27N7/c1-14(17-6-9-25-28-17)18-12-19(27-21(24)26-18)29-10-7-22(8-11-29)13-15-4-2-3-5-16(15)20(22)23/h2-5,12,20,25H,1,6-11,13,23H2,(H2,24,26,27)/t20-/m1/s1
InChIKeyFCRCZMJXBKZEER-HXUWFJFHSA-N
MW389.51 g/mol
LogP2.26
Rot. Bonds3

About (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 175822814) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID175822814
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name(1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(C1=NNCC1)c1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(N)n1
InChIInChI=1S/C22H27N7/c1-14(17-6-9-25-28-17)18-12-19(27-21(24)26-18)29-10-7-22(8-11-29)13-15-4-2-3-5-16(15)20(22)23/h2-5,12,20,25H,1,6-11,13,23H2,(H2,24,26,27)/t20-/m1/s1
InChIKeyFCRCZMJXBKZEER-HXUWFJFHSA-N
XLogP2.26
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

(1S)-1'-[6-(difluoromethyl)-4-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822832
4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol
CID 175822850
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one
CID 175822913
(1S)-1'-[12-(1-phenylethenyl)-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,7,9,11-tetraen-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 166823278
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydroindol-1-yl)methanone
CID 170682894
(1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822805
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
4-[1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]pyridine-2-carboxylic acid
CID 175341982
(1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822844
(1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822870
(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 172853248

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 175822814) is (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C(C1=NNCC1)c1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(N)n1.
What is the InChIKey of (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is FCRCZMJXBKZEER-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N7/c1-14(17-6-9-25-28-17)18-12-19(27-21(24)26-18)29-10-7-22(8-11-29)13-15-4-2-3-5-16(15)20(22)23/h2-5,12,20,25H,1,6-11,13,23H2,(H2,24,26,27)/t20-/m1/s1.
What are the key properties of (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 389.51 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 175822814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).