(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone

C19H20N6O — CID 135105462

IUPAC(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone
SMILESNc1ncc2c(n1)C1(CCCN(C(=O)c3n[nH]c4ccccc34)C1)CC2
InChIInChI=1S/C19H20N6O/c20-18-21-10-12-6-8-19(16(12)22-18)7-3-9-25(11-19)17(26)15-13-4-1-2-5-14(13)23-24-15/h1-2,4-5,10H,3,6-9,11H2,(H,23,24)(H2,20,21,22)
InChIKeyJARQYEOTQFKANM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.06
Rot. Bonds1

About (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone (PubChem CID 135105462) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone
PubChem CID135105462
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone
SMILESNc1ncc2c(n1)C1(CCCN(C(=O)c3n[nH]c4ccccc34)C1)CC2
InChIInChI=1S/C19H20N6O/c20-18-21-10-12-6-8-19(16(12)22-18)7-3-9-25(11-19)17(26)15-13-4-1-2-5-14(13)23-24-15/h1-2,4-5,10H,3,6-9,11H2,(H,23,24)(H2,20,21,22)
InChIKeyJARQYEOTQFKANM-UHFFFAOYSA-N
XLogP2.06
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazol-5-yl)methanone
CID 163315511
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone
CID 163318915
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-quinoxalin-2-ylmethanone
CID 163310783
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-imidazol-5-yl)methanone
CID 163315199
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1-benzofuran-2-yl)methanone
CID 163315881
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1-phenyltriazol-4-yl)methanone
CID 163307854
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,2-oxazol-5-yl)methanone
CID 163310590
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone
CID 163318690
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-methylthiophen-2-yl)methanone
CID 135087912
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-chlorothiophen-2-yl)methanone
CID 135087346
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-cyclopentylethanone
CID 135102067

Frequently Asked Questions

What is the IUPAC name of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone?
The IUPAC name of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone (CID 135105462) is (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone.
What is the SMILES notation for (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone?
The canonical SMILES for (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone is Nc1ncc2c(n1)C1(CCCN(C(=O)c3n[nH]c4ccccc34)C1)CC2.
What is the InChIKey of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone?
The InChIKey is JARQYEOTQFKANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c20-18-21-10-12-6-8-19(16(12)22-18)7-3-9-25(11-19)17(26)15-13-4-1-2-5-14(13)23-24-15/h1-2,4-5,10H,3,6-9,11H2,(H,23,24)(H2,20,21,22).
What are the key properties of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone?
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 135105462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).