[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

C30H32N8O — CID 137382071

IUPAC[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1cc3ccc(-c4nccc(Nc5ccc6[nH]ncc6c5)n4)cc3[nH]1)CC2
InChIInChI=1S/C30H32N8O/c1-37-12-7-30(8-13-37)9-14-38(15-10-30)29(39)26-17-20-2-3-21(18-25(20)34-26)28-31-11-6-27(35-28)33-23-4-5-24-22(16-23)19-32-36-24/h2-6,11,16-19,34H,7-10,12-15H2,1H3,(H,32,36)(H,31,33,35)
InChIKeySPCXDKYOGACLBN-UHFFFAOYSA-N
MW520.64 g/mol
LogP5.19
Rot. Bonds4

About [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 137382071) has the molecular formula C30H32N8O and a molecular weight of 520.64 g/mol. Its IUPAC name is [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID137382071
Molecular FormulaC30H32N8O
Molecular Weight520.64 g/mol
Exact Mass520.27
IUPAC Name[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1cc3ccc(-c4nccc(Nc5ccc6[nH]ncc6c5)n4)cc3[nH]1)CC2
InChIInChI=1S/C30H32N8O/c1-37-12-7-30(8-13-37)9-14-38(15-10-30)29(39)26-17-20-2-3-21(18-25(20)34-26)28-31-11-6-27(35-28)33-23-4-5-24-22(16-23)19-32-36-24/h2-6,11,16-19,34H,7-10,12-15H2,1H3,(H,32,36)(H,31,33,35)
InChIKeySPCXDKYOGACLBN-UHFFFAOYSA-N
XLogP5.19
TPSA105.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 137382071) is [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is CN1CCC2(CC1)CCN(C(=O)c1cc3ccc(-c4nccc(Nc5ccc6[nH]ncc6c5)n4)cc3[nH]1)CC2.
What is the InChIKey of [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is SPCXDKYOGACLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O/c1-37-12-7-30(8-13-37)9-14-38(15-10-30)29(39)26-17-20-2-3-21(18-25(20)34-26)28-31-11-6-27(35-28)33-23-4-5-24-22(16-23)19-32-36-24/h2-6,11,16-19,34H,7-10,12-15H2,1H3,(H,32,36)(H,31,33,35).
What are the key properties of [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 520.64 g/mol, XLogP of 5.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 137382071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).